3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide

C11H16N4O2 — CID 106096469

IUPAC3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ncccc1N
InChIInChI=1S/C11H16N4O2/c1-11(2,6-8(13)16)15-10(17)9-7(12)4-3-5-14-9/h3-5H,6,12H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyPCCXHVOEDANCMN-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.05
Rot. Bonds4

About 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide

3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide (PubChem CID 106096469) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
PubChem CID106096469
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ncccc1N
InChIInChI=1S/C11H16N4O2/c1-11(2,6-8(13)16)15-10(17)9-7(12)4-3-5-14-9/h3-5H,6,12H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyPCCXHVOEDANCMN-UHFFFAOYSA-N
XLogP0.05
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
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CID 107517143
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
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3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide
CID 82571766
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide (CID 106096469) is 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide is CC(C)(CC(N)=O)NC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide?
The InChIKey is PCCXHVOEDANCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,6-8(13)16)15-10(17)9-7(12)4-3-5-14-9/h3-5H,6,12H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide?
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).