4-(aminomethyl)-N-pyridin-4-ylbenzamide

C13H13N3O — CID 16771252

IUPAC4-(aminomethyl)-N-pyridin-4-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H13N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,9,14H2,(H,15,16,17)
InChIKeyBEIPZGFAWMRBKW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds3

About 4-(aminomethyl)-N-pyridin-4-ylbenzamide

4-(aminomethyl)-N-pyridin-4-ylbenzamide (PubChem CID 16771252) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-pyridin-4-ylbenzamide
PubChem CID16771252
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(aminomethyl)-N-pyridin-4-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H13N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,9,14H2,(H,15,16,17)
InChIKeyBEIPZGFAWMRBKW-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-pyridin-4-ylbenzamide (CID 16771252) is 4-(aminomethyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-pyridin-4-ylbenzamide is NCc1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-pyridin-4-ylbenzamide?
The InChIKey is BEIPZGFAWMRBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,9,14H2,(H,15,16,17).
What are the key properties of 4-(aminomethyl)-N-pyridin-4-ylbenzamide?
4-(aminomethyl)-N-pyridin-4-ylbenzamide has a molecular weight of 227.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16771252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).