N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

C12H17ClN4O2 — CID 106347150

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C(N)=O)C(C)C)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-6(2)9(10(14)18)17-12(19)7-4-8(13)11(15-3)16-5-7/h4-6,9H,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyRYIFQPQBEFYPFR-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.02
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (PubChem CID 106347150) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
PubChem CID106347150
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C(N)=O)C(C)C)cc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-6(2)9(10(14)18)17-12(19)7-4-8(13)11(15-3)16-5-7/h4-6,9H,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyRYIFQPQBEFYPFR-UHFFFAOYSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 124589162
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (CID 106347150) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C(N)=O)C(C)C)cc1Cl.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is RYIFQPQBEFYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-6(2)9(10(14)18)17-12(19)7-4-8(13)11(15-3)16-5-7/h4-6,9H,1-3H3,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.02, 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)-5-chloro-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106347150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).