2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide

C12H17N3O2 — CID 15679408

IUPAC2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide
SMILESCCC(C)NC(=O)c1ncc(C)cc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-4-8(3)15-12(17)10-9(11(13)16)5-7(2)6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyCQWUGYWUZVVNSF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds4

About 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide

2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide (PubChem CID 15679408) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide
PubChem CID15679408
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide
SMILESCCC(C)NC(=O)c1ncc(C)cc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-4-8(3)15-12(17)10-9(11(13)16)5-7(2)6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyCQWUGYWUZVVNSF-UHFFFAOYSA-N
XLogP1.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide
CID 163646130
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
CID 122185569
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide (CID 15679408) is 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide is CCC(C)NC(=O)c1ncc(C)cc1C(N)=O.
What is the InChIKey of 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide?
The InChIKey is CQWUGYWUZVVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-8(3)15-12(17)10-9(11(13)16)5-7(2)6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide?
2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 15679408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).