3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide

C16H19N3O — CID 104741223

IUPAC3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(2)14(12-7-4-3-5-8-12)19-16(20)15-13(17)9-6-10-18-15/h3-11,14H,17H2,1-2H3,(H,19,20)
InChIKeyJTLLMUNXQMHOOX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide

3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide (PubChem CID 104741223) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
PubChem CID104741223
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(2)14(12-7-4-3-5-8-12)19-16(20)15-13(17)9-6-10-18-15/h3-11,14H,17H2,1-2H3,(H,19,20)
InChIKeyJTLLMUNXQMHOOX-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide (CID 104741223) is 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide is CC(C)C(NC(=O)c1ncccc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is JTLLMUNXQMHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)14(12-7-4-3-5-8-12)19-16(20)15-13(17)9-6-10-18-15/h3-11,14H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide?
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).