N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide

C14H11ClN2O3 — CID 3039041

IUPACN-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NC(O)C(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H11ClN2O3/c15-11-5-3-9(4-6-11)12(18)14(20)17-13(19)10-2-1-7-16-8-10/h1-8,14,20H,(H,17,19)
InChIKeyOBYBRTPQAJQHLT-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 3039041) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
PubChem CID3039041
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NC(O)C(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H11ClN2O3/c15-11-5-3-9(4-6-11)12(18)14(20)17-13(19)10-2-1-7-16-8-10/h1-8,14,20H,(H,17,19)
InChIKeyOBYBRTPQAJQHLT-UHFFFAOYSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 34256272
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 35148834
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 96559361
N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 3265838
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide (CID 3039041) is N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide is O=C(NC(O)C(=O)c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is OBYBRTPQAJQHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-5-3-9(4-6-11)12(18)14(20)17-13(19)10-2-1-7-16-8-10/h1-8,14,20H,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3039041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).