3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide

C15H17N3O — CID 43524264

IUPAC3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccn2)cc1N
InChIInChI=1S/C15H17N3O/c1-10-6-7-12(9-13(10)16)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,16H2,1-2H3,(H,18,19)
InChIKeySVYFXGPOPAFLEG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.46
Rot. Bonds3

About 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide

3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 43524264) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID43524264
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccn2)cc1N
InChIInChI=1S/C15H17N3O/c1-10-6-7-12(9-13(10)16)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,16H2,1-2H3,(H,18,19)
InChIKeySVYFXGPOPAFLEG-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.46
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-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 51599963
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 43524264) is 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide is Cc1ccc(C(=O)NC(C)c2ccccn2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is SVYFXGPOPAFLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-6-7-12(9-13(10)16)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide?
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 43524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).