2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide

C15H15ClN4O2 — CID 3765547

IUPAC2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN4O2/c1-8-7-9(2)18-14(12(8)13(17)21)20-15(22)19-11-6-4-3-5-10(11)16/h3-7H,1-2H3,(H2,17,21)(H2,18,19,20,22)
InChIKeyFNHHTXZPMGCKPZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.09
Rot. Bonds3

About 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide

2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 3765547) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide
PubChem CID3765547
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN4O2/c1-8-7-9(2)18-14(12(8)13(17)21)20-15(22)19-11-6-4-3-5-10(11)16/h3-7H,1-2H3,(H2,17,21)(H2,18,19,20,22)
InChIKeyFNHHTXZPMGCKPZ-UHFFFAOYSA-N
XLogP3.09
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide (CID 3765547) is 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(NC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is FNHHTXZPMGCKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8-7-9(2)18-14(12(8)13(17)21)20-15(22)19-11-6-4-3-5-10(11)16/h3-7H,1-2H3,(H2,17,21)(H2,18,19,20,22).
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide?
2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 3765547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).