5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide

C12H19N3O — CID 61040311

IUPAC5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H19N3O/c1-4-5-8(2)15-12(16)11-6-10(13)7-14-9(11)3/h6-8H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyRVZGUCMLPNJENH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds4

About 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide

5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide (PubChem CID 61040311) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
PubChem CID61040311
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H19N3O/c1-4-5-8(2)15-12(16)11-6-10(13)7-14-9(11)3/h6-8H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyRVZGUCMLPNJENH-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
CID 114046062

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide (CID 61040311) is 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide is CCCC(C)NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The InChIKey is RVZGUCMLPNJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-8(2)15-12(16)11-6-10(13)7-14-9(11)3/h6-8H,4-5,13H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide?
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.89, 4 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-pentan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 61040311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).