4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide

C14H15N3O — CID 28545926

IUPAC4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-8-11-3-5-13(6-4-11)14(18)17-10-12-2-1-7-16-9-12/h1-7,9H,8,10,15H2,(H,17,18)
InChIKeyIDKXTQOINPBNSS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.47
Rot. Bonds4

About 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide

4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 28545926) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID28545926
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-8-11-3-5-13(6-4-11)14(18)17-10-12-2-1-7-16-9-12/h1-7,9H,8,10,15H2,(H,17,18)
InChIKeyIDKXTQOINPBNSS-UHFFFAOYSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide (CID 28545926) is 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide is NCc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IDKXTQOINPBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-11-3-5-13(6-4-11)14(18)17-10-12-2-1-7-16-9-12/h1-7,9H,8,10,15H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide?
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 241.29 g/mol, XLogP of 1.47, 4 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-ylmethyl)benzamide is sourced from PubChem (CID 28545926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).