1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide

C14H13N3O2 — CID 145416212

IUPAC1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O2/c1-15-13(18)10-5-7-11(8-6-10)14(19)17-12-4-2-3-9-16-12/h2-9H,1H3,(H,15,18)(H,16,17,19)
InChIKeyVQSCRKKSLQYTDT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds3

About 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide

1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide (PubChem CID 145416212) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
PubChem CID145416212
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O2/c1-15-13(18)10-5-7-11(8-6-10)14(19)17-12-4-2-3-9-16-12/h2-9H,1H3,(H,15,18)(H,16,17,19)
InChIKeyVQSCRKKSLQYTDT-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
pyrazine;N-pyridin-2-ylbenzamide
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CID 3027019
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
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N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 70351953
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide (CID 145416212) is 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is VQSCRKKSLQYTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-13(18)10-5-7-11(8-6-10)14(19)17-12-4-2-3-9-16-12/h2-9H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide?
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 145416212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).