N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide

C12H18N4O2 — CID 106347134

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C12H18N4O2/c1-7(2)9(10(13)17)16-12(18)8-5-4-6-15-11(8)14-3/h4-7,9H,1-3H3,(H2,13,17)(H,14,15)(H,16,18)
InChIKeySMHJQAGSIWDTAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 106347134) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID106347134
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C12H18N4O2/c1-7(2)9(10(13)17)16-12(18)8-5-4-6-15-11(8)14-3/h4-7,9H,1-3H3,(H2,13,17)(H,14,15)(H,16,18)
InChIKeySMHJQAGSIWDTAP-UHFFFAOYSA-N
XLogP0.36
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229
2-hydrazinyl-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 62248528
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide (CID 106347134) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is SMHJQAGSIWDTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)9(10(13)17)16-12(18)8-5-4-6-15-11(8)14-3/h4-7,9H,1-3H3,(H2,13,17)(H,14,15)(H,16,18).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106347134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).