2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide

C16H16Cl2N2O — CID 114917420

IUPAC2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-5-12(11(2)6-10)9-20(3)16(21)13-7-15(18)19-8-14(13)17/h4-8H,9H2,1-3H3
InChIKeyCQECRLPAXJIUOF-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.28
Rot. Bonds3

About 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide

2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 114917420) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID114917420
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-5-12(11(2)6-10)9-20(3)16(21)13-7-15(18)19-8-14(13)17/h4-8H,9H2,1-3H3
InChIKeyCQECRLPAXJIUOF-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 33045453

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 114917420) is 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c(C)c1.
What is the InChIKey of 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is CQECRLPAXJIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-4-5-12(11(2)6-10)9-20(3)16(21)13-7-15(18)19-8-14(13)17/h4-8H,9H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114917420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).