5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide

C16H19N3O — CID 61118673

IUPAC5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C16H19N3O/c1-10-6-4-5-7-14(10)12(3)19-16(20)15-8-13(17)9-18-11(15)2/h4-9,12H,17H2,1-3H3,(H,19,20)
InChIKeyJOBPKFMTQINOJQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.77
Rot. Bonds3

About 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide

5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 61118673) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID61118673
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C16H19N3O/c1-10-6-4-5-7-14(10)12(3)19-16(20)15-8-13(17)9-18-11(15)2/h4-9,12H,17H2,1-3H3,(H,19,20)
InChIKeyJOBPKFMTQINOJQ-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107120653
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide (CID 61118673) is 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccccc1C(C)NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JOBPKFMTQINOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-6-4-5-7-14(10)12(3)19-16(20)15-8-13(17)9-18-11(15)2/h4-9,12H,17H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 61118673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).