6-benzyl-2-N-methylpyridine-2,4-dicarboxamide

C15H15N3O2 — CID 145407007

IUPAC6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-17-15(20)13-9-11(14(16)19)8-12(18-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNRJMXKMEIUHQDU-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.13
Rot. Bonds4

About 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide

6-benzyl-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 145407007) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID145407007
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-17-15(20)13-9-11(14(16)19)8-12(18-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNRJMXKMEIUHQDU-UHFFFAOYSA-N
XLogP1.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide (CID 145407007) is 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is NRJMXKMEIUHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-17-15(20)13-9-11(14(16)19)8-12(18-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
6-benzyl-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 145407007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).