bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine

C103H124Cl3F4N27O13 — CID 160730380

IUPACbis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.CC(C)(C)OC(=O)NC1(C(N)=O)CCCC1.N#Cc1cc(F)c(Cl)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.NC(=O)C1(N)CCCC1.NC(=O)C1(N)CCCC1.NC(=O)c1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.Nc1cnc2ccccc2c1
InChIInChI=1S/C21H21FN6O2.C21H19FN6O.C12H12ClFN4O.C11H20N2O3.C11H19NO4.C9H8N2.C6HCl2FN2.2C6H12N2O/c22-15-10-14(17(23)29)18(26-13-9-12-5-1-2-6-16(12)25-11-13)27-19(15)28-21(20(24)30)7-3-4-8-21;22-16-10-14(11-23)18(26-15-9-13-5-1-2-6-17(13)25-12-15)27-19(16)28-21(20(24)29)7-3-4-8-21;13-9-7(6-15)5-8(14)10(17-9)18-12(11(16)19)3-1-2-4-12;1-10(2,3)16-9(15)13-11(8(12)14)6-4-5-7-11;1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-3(2-10)1-4(9)6(8)11-5;2*7-5(9)6(8)3-1-2-4-6/h1-2,5-6,9-11H,3-4,7-8H2,(H2,23,29)(H2,24,30)(H2,26,27,28);1-2,5-6,9-10,12H,3-4,7-8H2,(H2,24,29)(H2,26,27,28);5H,1-4H2,(H2,16,19)(H,17,18);4-7H2,1-3H3,(H2,12,14)(H,13,15);4-7H2,1-3H3,(H,12,15)(H,13,14);1-6H,10H2;1H;2*1-4,8H2,(H2,7,9)
InChIKeyRUGHDBBWEYXWPB-UHFFFAOYSA-N
MW2130.65 g/mol
LogP15.29
Rot. Bonds20

About bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine

bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine (PubChem CID 160730380) has the molecular formula C103H124Cl3F4N27O13 and a molecular weight of 2130.65 g/mol. Its IUPAC name is bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine.

Molecular Properties

Compound Namebis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine
PubChem CID160730380
Molecular FormulaC103H124Cl3F4N27O13
Molecular Weight2130.65 g/mol
Exact Mass2127.89
IUPAC Namebis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.CC(C)(C)OC(=O)NC1(C(N)=O)CCCC1.N#Cc1cc(F)c(Cl)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.NC(=O)C1(N)CCCC1.NC(=O)C1(N)CCCC1.NC(=O)c1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.Nc1cnc2ccccc2c1
InChIInChI=1S/C21H21FN6O2.C21H19FN6O.C12H12ClFN4O.C11H20N2O3.C11H19NO4.C9H8N2.C6HCl2FN2.2C6H12N2O/c22-15-10-14(17(23)29)18(26-13-9-12-5-1-2-6-16(12)25-11-13)27-19(15)28-21(20(24)30)7-3-4-8-21;22-16-10-14(11-23)18(26-15-9-13-5-1-2-6-17(13)25-12-15)27-19(16)28-21(20(24)29)7-3-4-8-21;13-9-7(6-15)5-8(14)10(17-9)18-12(11(16)19)3-1-2-4-12;1-10(2,3)16-9(15)13-11(8(12)14)6-4-5-7-11;1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-3(2-10)1-4(9)6(8)11-5;2*7-5(9)6(8)3-1-2-4-6/h1-2,5-6,9-11H,3-4,7-8H2,(H2,23,29)(H2,24,30)(H2,26,27,28);1-2,5-6,9-10,12H,3-4,7-8H2,(H2,24,29)(H2,26,27,28);5H,1-4H2,(H2,16,19)(H,17,18);4-7H2,1-3H3,(H2,12,14)(H,13,15);4-7H2,1-3H3,(H,12,15)(H,13,14);1-6H,10H2;1H;2*1-4,8H2,(H2,7,9)
InChIKeyRUGHDBBWEYXWPB-UHFFFAOYSA-N
XLogP15.29
TPSA715.40 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.65
LogP ≤ 515.29
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine?
The IUPAC name of bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine (CID 160730380) is bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine.
What is the SMILES notation for bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine?
The canonical SMILES for bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine is CC(C)(C)OC(=O)NC1(C(=O)O)CCCC1.CC(C)(C)OC(=O)NC1(C(N)=O)CCCC1.N#Cc1cc(F)c(Cl)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Cl.N#Cc1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.NC(=O)C1(N)CCCC1.NC(=O)C1(N)CCCC1.NC(=O)c1cc(F)c(NC2(C(N)=O)CCCC2)nc1Nc1cnc2ccccc2c1.Nc1cnc2ccccc2c1.
What is the InChIKey of bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine?
The InChIKey is RUGHDBBWEYXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2.C21H19FN6O.C12H12ClFN4O.C11H20N2O3.C11H19NO4.C9H8N2.C6HCl2FN2.2C6H12N2O/c22-15-10-14(17(23)29)18(26-13-9-12-5-1-2-6-16(12)25-11-13)27-19(15)28-21(20(24)30)7-3-4-8-21;22-16-10-14(11-23)18(26-15-9-13-5-1-2-6-17(13)25-12-15)27-19(16)28-21(20(24)29)7-3-4-8-21;13-9-7(6-15)5-8(14)10(17-9)18-12(11(16)19)3-1-2-4-12;1-10(2,3)16-9(15)13-11(8(12)14)6-4-5-7-11;1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11;10-8-5-7-3-1-2-4-9(7)11-6-8;7-5-3(2-10)1-4(9)6(8)11-5;2*7-5(9)6(8)3-1-2-4-6/h1-2,5-6,9-11H,3-4,7-8H2,(H2,23,29)(H2,24,30)(H2,26,27,28);1-2,5-6,9-10,12H,3-4,7-8H2,(H2,24,29)(H2,26,27,28);5H,1-4H2,(H2,16,19)(H,17,18);4-7H2,1-3H3,(H2,12,14)(H,13,15);4-7H2,1-3H3,(H,12,15)(H,13,14);1-6H,10H2;1H;2*1-4,8H2,(H2,7,9).
What are the key properties of bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine?
bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine has a molecular weight of 2130.65 g/mol, XLogP of 15.29, 20 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-aminocyclopentane-1-carboxamide);tert-butyl N-(1-carbamoylcyclopentyl)carbamate;6-[(1-carbamoylcyclopentyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide;1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclopentane-1-carboxamide;1-[[5-cyano-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]amino]cyclopentane-1-carboxamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;quinolin-3-amine is sourced from PubChem (CID 160730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).