4-(aminomethyl)-N-pyridin-3-ylbenzamide

C13H13N3O — CID 16774572

IUPAC4-(aminomethyl)-N-pyridin-3-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H13N3O/c14-8-10-3-5-11(6-4-10)13(17)16-12-2-1-7-15-9-12/h1-7,9H,8,14H2,(H,16,17)
InChIKeyIHHFCWHTRUIZOK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds3

About 4-(aminomethyl)-N-pyridin-3-ylbenzamide

4-(aminomethyl)-N-pyridin-3-ylbenzamide (PubChem CID 16774572) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-pyridin-3-ylbenzamide
PubChem CID16774572
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(aminomethyl)-N-pyridin-3-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H13N3O/c14-8-10-3-5-11(6-4-10)13(17)16-12-2-1-7-15-9-12/h1-7,9H,8,14H2,(H,16,17)
InChIKeyIHHFCWHTRUIZOK-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-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-pyridin-3-ylbenzamide (CID 16774572) is 4-(aminomethyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-pyridin-3-ylbenzamide is NCc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-pyridin-3-ylbenzamide?
The InChIKey is IHHFCWHTRUIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-8-10-3-5-11(6-4-10)13(17)16-12-2-1-7-15-9-12/h1-7,9H,8,14H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-pyridin-3-ylbenzamide?
4-(aminomethyl)-N-pyridin-3-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-3-ylbenzamide is sourced from PubChem (CID 16774572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).