2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide

C15H17N3O — CID 60914586

IUPAC2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCCc2ccncc2)c1N
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-6,8-9H,7,10,16H2,1H3,(H,18,19)
InChIKeyLFAUUZPPWZHNCE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide

2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 60914586) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID60914586
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCCc2ccncc2)c1N
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-6,8-9H,7,10,16H2,1H3,(H,18,19)
InChIKeyLFAUUZPPWZHNCE-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 60914586) is 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide is Cc1cccc(C(=O)NCCc2ccncc2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is LFAUUZPPWZHNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-2-4-13(14(11)16)15(19)18-10-7-12-5-8-17-9-6-12/h2-6,8-9H,7,10,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide?
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 255.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).