6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride

C69H113Cl3N20O9 — CID 159327396

IUPAC6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(N)=O)cn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC(C)N1CCN(C(=O)NC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1.CC(C)N1CCNCC1.Cl.Cl.NC(=O)c1ccc(Cl)nc1.NC(=O)c1ccc(N2CCC(N)CC2)nc1
InChIInChI=1S/C19H30N6O2.C16H24N4O3.C11H16N4O.C10H20N2O2.C7H16N2.C6H5ClN2O.2ClH/c1-14(2)23-9-11-25(12-10-23)19(27)22-16-5-7-24(8-6-16)17-4-3-15(13-21-17)18(20)26;1-16(2,3)23-15(22)19-12-6-8-20(9-7-12)13-5-4-11(10-18-13)14(17)21;12-9-3-5-15(6-4-9)10-2-1-8(7-14-10)11(13)16;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-7(2)9-5-3-8-4-6-9;7-5-2-1-4(3-9-5)6(8)10;;/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,26)(H,22,27);4-5,10,12H,6-9H2,1-3H3,(H2,17,21)(H,19,22);1-2,7,9H,3-6,12H2,(H2,13,16);8,11H,4-7H2,1-3H3,(H,12,13);7-8H,3-6H2,1-2H3;1-3H,(H2,8,10);2*1H
InChIKeyOEUFOGLZXNCUDR-UHFFFAOYSA-N
MW1473.15 g/mol
LogP5.91
Rot. Bonds12

About 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride

6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride (PubChem CID 159327396) has the molecular formula C69H113Cl3N20O9 and a molecular weight of 1473.15 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride
PubChem CID159327396
Molecular FormulaC69H113Cl3N20O9
Molecular Weight1473.15 g/mol
Exact Mass1470.81
IUPAC Name6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(N)=O)cn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC(C)N1CCN(C(=O)NC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1.CC(C)N1CCNCC1.Cl.Cl.NC(=O)c1ccc(Cl)nc1.NC(=O)c1ccc(N2CCC(N)CC2)nc1
InChIInChI=1S/C19H30N6O2.C16H24N4O3.C11H16N4O.C10H20N2O2.C7H16N2.C6H5ClN2O.2ClH/c1-14(2)23-9-11-25(12-10-23)19(27)22-16-5-7-24(8-6-16)17-4-3-15(13-21-17)18(20)26;1-16(2,3)23-15(22)19-12-6-8-20(9-7-12)13-5-4-11(10-18-13)14(17)21;12-9-3-5-15(6-4-9)10-2-1-8(7-14-10)11(13)16;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-7(2)9-5-3-8-4-6-9;7-5-2-1-4(3-9-5)6(8)10;;/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,26)(H,22,27);4-5,10,12H,6-9H2,1-3H3,(H2,17,21)(H,19,22);1-2,7,9H,3-6,12H2,(H2,13,16);8,11H,4-7H2,1-3H3,(H,12,13);7-8H,3-6H2,1-2H3;1-3H,(H2,8,10);2*1H
InChIKeyOEUFOGLZXNCUDR-UHFFFAOYSA-N
XLogP5.91
TPSA399.20 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001473.15
LogP ≤ 55.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride with MolForge

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Related Compounds

5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 57390765
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-tert-butyl-6-chloropyrazine-2-carboxamide
CID 57397855
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide
CID 57397856
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
CID 57399516
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-cyclopropylpyrazine-2-carboxamide
CID 57401269
(S)-5-chloro-N-methyl-6-(3-methyl-4-(1-(pyridin-2-ylmethyl)piperidin-4-yl)piperazin-1-yl)nicotinamide
CID 53322974
N-[(3R)-3-acetamidobutyl]-6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide;tert-butyl N-[(2R)-4-[[6-chloro-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]butan-2-yl]carbamate
CID 136215349
tert-butyl 4-(4-amino-5-chloropyrimidin-2-yl)oxypiperidine-1-carboxylate;6-[(5-chloro-2-piperidin-4-yloxypyrimidin-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 136215356
tert-butyl N-[[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]methyl]carbamate
CID 59740851
3-amino-5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide;3-amino-5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethyl-6-methylpyrazine-2-carboxamide;3-amino-5-[(2R,5S)-4-[1-(2-amino-6-methylpyridine-3-carbonyl)piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-6-chloro-N-cyclopropylpyrazine-2-carboxamide;5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 157503839
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
N-[2-(3-chlorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 157768431

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride?
The IUPAC name of 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride (CID 159327396) is 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride is CC(C)(C)OC(=O)NC1CCN(c2ccc(C(N)=O)cn2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC(C)N1CCN(C(=O)NC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1.CC(C)N1CCNCC1.Cl.Cl.NC(=O)c1ccc(Cl)nc1.NC(=O)c1ccc(N2CCC(N)CC2)nc1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride?
The InChIKey is OEUFOGLZXNCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2.C16H24N4O3.C11H16N4O.C10H20N2O2.C7H16N2.C6H5ClN2O.2ClH/c1-14(2)23-9-11-25(12-10-23)19(27)22-16-5-7-24(8-6-16)17-4-3-15(13-21-17)18(20)26;1-16(2,3)23-15(22)19-12-6-8-20(9-7-12)13-5-4-11(10-18-13)14(17)21;12-9-3-5-15(6-4-9)10-2-1-8(7-14-10)11(13)16;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-7(2)9-5-3-8-4-6-9;7-5-2-1-4(3-9-5)6(8)10;;/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,26)(H,22,27);4-5,10,12H,6-9H2,1-3H3,(H2,17,21)(H,19,22);1-2,7,9H,3-6,12H2,(H2,13,16);8,11H,4-7H2,1-3H3,(H,12,13);7-8H,3-6H2,1-2H3;1-3H,(H2,8,10);2*1H.
What are the key properties of 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride?
6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride has a molecular weight of 1473.15 g/mol, XLogP of 5.91, 12 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 159327396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).