4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide

C14H13ClN2O2 — CID 81227235

IUPAC4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
SMILESCOCc1cccc(NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-9-10-3-2-4-11(7-10)17-14(18)12-8-16-6-5-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKUEPQIIOHMVKRR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide

4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 81227235) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID81227235
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
SMILESCOCc1cccc(NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-9-10-3-2-4-11(7-10)17-14(18)12-8-16-6-5-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKUEPQIIOHMVKRR-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide (CID 81227235) is 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide is COCc1cccc(NC(=O)c2cnccc2Cl)c1.
What is the InChIKey of 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KUEPQIIOHMVKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-9-10-3-2-4-11(7-10)17-14(18)12-8-16-6-5-13(12)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide?
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).