2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

C14H13ClN2O2 — CID 24903460

IUPAC2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyVCNXURJKNVYIRQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 24903460) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID24903460
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyVCNXURJKNVYIRQ-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 24903460) is 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1cccc(CNC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VCNXURJKNVYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24903460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).