N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O2 — CID 114040983

IUPACN-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CCl)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13ClN2O2/c15-7-10-2-1-3-11(6-10)8-17-14(19)12-4-5-13(18)16-9-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeySNARTEGPNHOUAK-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.04
Rot. Bonds4

About N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114040983) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114040983
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CCl)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13ClN2O2/c15-7-10-2-1-3-11(6-10)8-17-14(19)12-4-5-13(18)16-9-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeySNARTEGPNHOUAK-UHFFFAOYSA-N
XLogP2.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
N-[(3-ethoxy-4-methoxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921254
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 114040983) is N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1cccc(CCl)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SNARTEGPNHOUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-7-10-2-1-3-11(6-10)8-17-14(19)12-4-5-13(18)16-9-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114040983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).