5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

C12H18N4O2 — CID 54917009

IUPAC5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C12H18N4O2/c1-7(2)16-11(17)6-15-12(18)10-4-9(13)5-14-8(10)3/h4-5,7H,6,13H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBJFIQONKNVJCTR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.23
Rot. Bonds4

About 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 54917009) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID54917009
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C12H18N4O2/c1-7(2)16-11(17)6-15-12(18)10-4-9(13)5-14-8(10)3/h4-5,7H,6,13H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyBJFIQONKNVJCTR-UHFFFAOYSA-N
XLogP0.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
5-amino-2-methyl-N-[(1-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 55259473
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 61138847

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (CID 54917009) is 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NCC(=O)NC(C)C.
What is the InChIKey of 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is BJFIQONKNVJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)16-11(17)6-15-12(18)10-4-9(13)5-14-8(10)3/h4-5,7H,6,13H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 54917009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).