2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide

C16H19N3O — CID 89323235

IUPAC2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccccc1N
InChIInChI=1S/C16H19N3O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-9,11H,2,10,12,17H2,1H3
InChIKeyAQVAGLLEQGTBJQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide

2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 89323235) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID89323235
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccccc1N
InChIInChI=1S/C16H19N3O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-9,11H,2,10,12,17H2,1H3
InChIKeyAQVAGLLEQGTBJQ-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 121498039
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 150838311
5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
CID 61040072
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide (CID 89323235) is 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide is CCCN(Cc1cccnc1)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AQVAGLLEQGTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-9,11H,2,10,12,17H2,1H3.
What are the key properties of 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide?
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 89323235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).