6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide

C15H15ClN4O2 — CID 71889249

IUPAC6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide
SMILESCN(Cc1cccc(C(N)=O)c1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-20(8-9-3-2-4-10(5-9)13(17)21)15-12(16)6-11(7-19-15)14(18)22/h2-7H,8H2,1H3,(H2,17,21)(H2,18,22)
InChIKeyNKDKWFCMSAAXAK-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.57
Rot. Bonds5

About 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide

6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide (PubChem CID 71889249) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide
PubChem CID71889249
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide
SMILESCN(Cc1cccc(C(N)=O)c1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-20(8-9-3-2-4-10(5-9)13(17)21)15-12(16)6-11(7-19-15)14(18)22/h2-7H,8H2,1H3,(H2,17,21)(H2,18,22)
InChIKeyNKDKWFCMSAAXAK-UHFFFAOYSA-N
XLogP1.57
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide (CID 71889249) is 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide is CN(Cc1cccc(C(N)=O)c1)c1ncc(C(N)=O)cc1Cl.
What is the InChIKey of 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is NKDKWFCMSAAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-20(8-9-3-2-4-10(5-9)13(17)21)15-12(16)6-11(7-19-15)14(18)22/h2-7H,8H2,1H3,(H2,17,21)(H2,18,22).
What are the key properties of 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide?
6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-carbamoylphenyl)methyl-methylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 71889249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).