4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide

C15H14ClN3O2 — CID 9039107

IUPAC4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C15H14ClN3O2/c1-10-3-2-4-12(7-10)19-14(20)9-18-15(21)13-8-11(16)5-6-17-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHXJFNUKIJLXSDC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9039107) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9039107
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C15H14ClN3O2/c1-10-3-2-4-12(7-10)19-14(20)9-18-15(21)13-8-11(16)5-6-17-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHXJFNUKIJLXSDC-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
CID 9479430
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide (CID 9039107) is 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HXJFNUKIJLXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10-3-2-4-12(7-10)19-14(20)9-18-15(21)13-8-11(16)5-6-17-13/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9039107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).