N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

C19H22ClN3O3 — CID 164633693

IUPACN-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-26-18-5-4-13(9-15(18)20)11-23-8-6-16(17(24)12-23)22-19(25)14-3-2-7-21-10-14/h2-5,7,9-10,16-17,24H,6,8,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyZFNHAIFWYVSAIT-IRXDYDNUSA-N
MW375.86 g/mol
LogP2.11
Rot. Bonds5

About N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 164633693) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
PubChem CID164633693
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-26-18-5-4-13(9-15(18)20)11-23-8-6-16(17(24)12-23)22-19(25)14-3-2-7-21-10-14/h2-5,7,9-10,16-17,24H,6,8,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyZFNHAIFWYVSAIT-IRXDYDNUSA-N
XLogP2.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 70765365
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
CID 164633017
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
CID 91840322
N-[2-[[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91839912
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(3R,4R)-3-hydroxy-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70733332
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
4-acetamido-5-chloro-N-[(3S,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxybenzamide
CID 67914575

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (CID 164633693) is N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is COc1ccc(CN2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)cc1Cl.
What is the InChIKey of N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is ZFNHAIFWYVSAIT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-26-18-5-4-13(9-15(18)20)11-23-8-6-16(17(24)12-23)22-19(25)14-3-2-7-21-10-14/h2-5,7,9-10,16-17,24H,6,8,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164633693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).