N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide

C78H97Cl3N16O12 — CID 157082804

IUPACN-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2.CC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1.Nc1ccc(N2C3CCC2CC(NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1.O=C(NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1)C1(c2ccc(Cl)cc2)CC1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C22H23ClN4O3.C22H25ClN4O.C17H24N4O4.C12H22N2O2.C5H3ClN2O2/c23-15-3-1-14(2-4-15)22(9-10-22)21(28)25-16-11-17-5-6-18(12-16)26(17)20-8-7-19(13-24-20)27(29)30;23-15-3-1-14(2-4-15)22(9-10-22)21(28)26-17-11-18-6-7-19(12-17)27(18)20-8-5-16(24)13-25-20;1-17(2,3)25-16(22)19-11-8-12-4-5-13(9-11)20(12)15-7-6-14(10-18-15)21(23)24;1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8;6-5-2-1-4(3-7-5)8(9)10/h1-4,7-8,13,16-18H,5-6,9-12H2,(H,25,28);1-5,8,13,17-19H,6-7,9-12,24H2,(H,26,28);6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,22);8-10,13H,4-7H2,1-3H3,(H,14,15);1-3H
InChIKeyADTBGCCKFLLKDG-UHFFFAOYSA-N
MW1557.09 g/mol
LogP14.11
Rot. Bonds14

About N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide

N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide (PubChem CID 157082804) has the molecular formula C78H97Cl3N16O12 and a molecular weight of 1557.09 g/mol. Its IUPAC name is N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide
PubChem CID157082804
Molecular FormulaC78H97Cl3N16O12
Molecular Weight1557.09 g/mol
Exact Mass1554.65
IUPAC NameN-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2.CC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1.Nc1ccc(N2C3CCC2CC(NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1.O=C(NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1)C1(c2ccc(Cl)cc2)CC1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C22H23ClN4O3.C22H25ClN4O.C17H24N4O4.C12H22N2O2.C5H3ClN2O2/c23-15-3-1-14(2-4-15)22(9-10-22)21(28)25-16-11-17-5-6-18(12-16)26(17)20-8-7-19(13-24-20)27(29)30;23-15-3-1-14(2-4-15)22(9-10-22)21(28)26-17-11-18-6-7-19(12-17)27(18)20-8-5-16(24)13-25-20;1-17(2,3)25-16(22)19-11-8-12-4-5-13(9-11)20(12)15-7-6-14(10-18-15)21(23)24;1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8;6-5-2-1-4(3-7-5)8(9)10/h1-4,7-8,13,16-18H,5-6,9-12H2,(H,25,28);1-5,8,13,17-19H,6-7,9-12,24H2,(H,26,28);6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,22);8-10,13H,4-7H2,1-3H3,(H,14,15);1-3H
InChIKeyADTBGCCKFLLKDG-UHFFFAOYSA-N
XLogP14.11
TPSA363.61 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.09
LogP ≤ 514.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

[4-[8-(6-Amino-5-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone;tert-butyl 4-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-(8-chloroimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-nitro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;[4-(8-chloroimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidin-1-yl]-cyclopropylmethanone;8-chloro-1-piperidin-4-ylimidazo[4,5-c][1,5]naphthyridine;2,8-dichloro-7-nitro-1,5-naphthyridine
CID 158451666
bis(tert-butyl 4-[13-chloro-10-[(cyclopropanecarbonylamino)-(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperidine-1-carboxylate);(1-methylcyclopropyl) 4-[(2S)-13-chloro-10-[(R)-[(1-methylcyclopropyl)oxycarbonylamino]-(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]piperidine-1-carboxylate
CID 160894718

Frequently Asked Questions

What is the IUPAC name of N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide (CID 157082804) is N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide is CC(C)(C)OC(=O)NC1CC2CCC(C1)N2.CC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1.Nc1ccc(N2C3CCC2CC(NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1.O=C(NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1)C1(c2ccc(Cl)cc2)CC1.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ADTBGCCKFLLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3.C22H25ClN4O.C17H24N4O4.C12H22N2O2.C5H3ClN2O2/c23-15-3-1-14(2-4-15)22(9-10-22)21(28)25-16-11-17-5-6-18(12-16)26(17)20-8-7-19(13-24-20)27(29)30;23-15-3-1-14(2-4-15)22(9-10-22)21(28)26-17-11-18-6-7-19(12-17)27(18)20-8-5-16(24)13-25-20;1-17(2,3)25-16(22)19-11-8-12-4-5-13(9-11)20(12)15-7-6-14(10-18-15)21(23)24;1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8;6-5-2-1-4(3-7-5)8(9)10/h1-4,7-8,13,16-18H,5-6,9-12H2,(H,25,28);1-5,8,13,17-19H,6-7,9-12,24H2,(H,26,28);6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,22);8-10,13H,4-7H2,1-3H3,(H,14,15);1-3H.
What are the key properties of N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide?
N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 1557.09 g/mol, XLogP of 14.11, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(5-amino-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;2-chloro-5-nitropyridine;1-(4-chlorophenyl)-N-[8-(5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157082804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).