N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide

C14H13ClN2O2 — CID 51725997

IUPACN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H13ClN2O2/c15-12-3-1-2-11(8-12)13(18)9-17-14(19)10-4-6-16-7-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m1/s1
InChIKeyPFBYKYZUODYCME-CYBMUJFWSA-N
MW276.72 g/mol
LogP2.20
Rot. Bonds4

About N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide (PubChem CID 51725997) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
PubChem CID51725997
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H13ClN2O2/c15-12-3-1-2-11(8-12)13(18)9-17-14(19)10-4-6-16-7-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m1/s1
InChIKeyPFBYKYZUODYCME-CYBMUJFWSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide
CID 87958107
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide (CID 51725997) is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide is O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The InChIKey is PFBYKYZUODYCME-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-3-1-2-11(8-12)13(18)9-17-14(19)10-4-6-16-7-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51725997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).