2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide

C80H96Cl4N16O6 — CID 158094133

IUPAC2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.CC1(C)CC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC(C)(C)N1.CN1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CN2CCC1CC2
InChIInChI=1S/C22H27ClN4O3.C21H27ClN4O.C19H21ClN4O.C18H21ClN4O/c1-22(2,3)30-21(29)27-12-9-16(10-13-27)25-19-18(8-5-11-24-19)20(28)26-17-7-4-6-15(23)14-17;1-20(2)12-16(13-21(3,4)26-20)24-18-17(9-6-10-23-18)19(27)25-15-8-5-7-14(22)11-15;20-14-3-1-4-15(11-14)22-19(25)16-5-2-8-21-18(16)23-17-12-24-9-6-13(17)7-10-24;1-23-10-7-14(8-11-23)21-17-16(6-3-9-20-17)18(24)22-15-5-2-4-13(19)12-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,28);5-11,16,26H,12-13H2,1-4H3,(H,23,24)(H,25,27);1-5,8,11,13,17H,6-7,9-10,12H2,(H,21,23)(H,22,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyFOLUAVUWVLZMOC-UHFFFAOYSA-N
MW1519.57 g/mol
LogP16.49
Rot. Bonds16

About 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide

2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 158094133) has the molecular formula C80H96Cl4N16O6 and a molecular weight of 1519.57 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID158094133
Molecular FormulaC80H96Cl4N16O6
Molecular Weight1519.57 g/mol
Exact Mass1516.65
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.CC1(C)CC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC(C)(C)N1.CN1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CN2CCC1CC2
InChIInChI=1S/C22H27ClN4O3.C21H27ClN4O.C19H21ClN4O.C18H21ClN4O/c1-22(2,3)30-21(29)27-12-9-16(10-13-27)25-19-18(8-5-11-24-19)20(28)26-17-7-4-6-15(23)14-17;1-20(2)12-16(13-21(3,4)26-20)24-18-17(9-6-10-23-18)19(27)25-15-8-5-7-14(22)11-15;20-14-3-1-4-15(11-14)22-19(25)16-5-2-8-21-18(16)23-17-12-24-9-6-13(17)7-10-24;1-23-10-7-14(8-11-23)21-17-16(6-3-9-20-17)18(24)22-15-5-2-4-13(19)12-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,28);5-11,16,26H,12-13H2,1-4H3,(H,23,24)(H,25,27);1-5,8,11,13,17H,6-7,9-10,12H2,(H,21,23)(H,22,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyFOLUAVUWVLZMOC-UHFFFAOYSA-N
XLogP16.49
TPSA264.13 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001519.57
LogP ≤ 516.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 71496162
tert-butyl 4-[1-(4-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46350685
tert-butyl 4-[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 42628363
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
tert-butyl 4-[4-[(3-chlorophenyl)carbamoyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280948
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 3-[[8-(pyridin-4-ylcarbamoyl)quinolin-5-yl]amino]pyrrolidine-1-carboxylate
CID 175300892
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-[(3-chlorophenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281514
tert-butyl (3aR,4R,6aR)-4-(3-chloroanilino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 126417188
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide (CID 158094133) is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide is CC(C)(C)OC(=O)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.CC1(C)CC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC(C)(C)N1.CN1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1.O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is FOLUAVUWVLZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3.C21H27ClN4O.C19H21ClN4O.C18H21ClN4O/c1-22(2,3)30-21(29)27-12-9-16(10-13-27)25-19-18(8-5-11-24-19)20(28)26-17-7-4-6-15(23)14-17;1-20(2)12-16(13-21(3,4)26-20)24-18-17(9-6-10-23-18)19(27)25-15-8-5-7-14(22)11-15;20-14-3-1-4-15(11-14)22-19(25)16-5-2-8-21-18(16)23-17-12-24-9-6-13(17)7-10-24;1-23-10-7-14(8-11-23)21-17-16(6-3-9-20-17)18(24)22-15-5-2-4-13(19)12-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3,(H,24,25)(H,26,28);5-11,16,26H,12-13H2,1-4H3,(H,23,24)(H,25,27);1-5,8,11,13,17H,6-7,9-10,12H2,(H,21,23)(H,22,25);2-6,9,12,14H,7-8,10-11H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 1519.57 g/mol, XLogP of 16.49, 16 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-chlorophenyl)pyridine-3-carboxamide;tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate;N-(3-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-(3-chlorophenyl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 158094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).