N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide

C19H23ClN4O2 — CID 71496162

IUPACN-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1N[C@H]1CCCN(CCO)C1
InChIInChI=1S/C19H23ClN4O2/c20-14-4-1-5-15(12-14)23-19(26)17-7-2-8-21-18(17)22-16-6-3-9-24(13-16)10-11-25/h1-2,4-5,7-8,12,16,25H,3,6,9-11,13H2,(H,21,22)(H,23,26)/t16-/m0/s1
InChIKeyRKLDPFJBWGDIBT-INIZCTEOSA-N
MW374.87 g/mol
LogP2.86
Rot. Bonds6

About N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide

N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 71496162) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID71496162
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1N[C@H]1CCCN(CCO)C1
InChIInChI=1S/C19H23ClN4O2/c20-14-4-1-5-15(12-14)23-19(26)17-7-2-8-21-18(17)22-16-6-3-9-24(13-16)10-11-25/h1-2,4-5,7-8,12,16,25H,3,6,9-11,13H2,(H,21,22)(H,23,26)/t16-/m0/s1
InChIKeyRKLDPFJBWGDIBT-INIZCTEOSA-N
XLogP2.86
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
CID 134359779
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 90386351
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
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
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide (CID 71496162) is N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1N[C@H]1CCCN(CCO)C1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is RKLDPFJBWGDIBT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-14-4-1-5-15(12-14)23-19(26)17-7-2-8-21-18(17)22-16-6-3-9-24(13-16)10-11-25/h1-2,4-5,7-8,12,16,25H,3,6,9-11,13H2,(H,21,22)(H,23,26)/t16-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 71496162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).