5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide

C17H21N3O — CID 61139068

IUPAC5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)cnc2C)cc1
InChIInChI=1S/C17H21N3O/c1-4-13-5-7-14(8-6-13)11(2)20-17(21)16-9-15(18)10-19-12(16)3/h5-11H,4,18H2,1-3H3,(H,20,21)
InChIKeyGUBMMOYNPWUGML-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.03
Rot. Bonds4

About 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide

5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 61139068) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
PubChem CID61139068
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)cnc2C)cc1
InChIInChI=1S/C17H21N3O/c1-4-13-5-7-14(8-6-13)11(2)20-17(21)16-9-15(18)10-19-12(16)3/h5-11H,4,18H2,1-3H3,(H,20,21)
InChIKeyGUBMMOYNPWUGML-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide (CID 61139068) is 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide is CCc1ccc(C(C)NC(=O)c2cc(N)cnc2C)cc1.
What is the InChIKey of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is GUBMMOYNPWUGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-13-5-7-14(8-6-13)11(2)20-17(21)16-9-15(18)10-19-12(16)3/h5-11H,4,18H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide?
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 61139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).