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

C10H13ClN4O2 — CID 62170242

IUPACN-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)C(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(8(12)16)15-10(17)6-3-7(11)9(13-2)14-4-6/h3-5H,1-2H3,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyRPLBQCJTFFIGDQ-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.38
Rot. Bonds4

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

N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62170242) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
PubChem CID62170242
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)C(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(8(12)16)15-10(17)6-3-7(11)9(13-2)14-4-6/h3-5H,1-2H3,(H2,12,16)(H,13,14)(H,15,17)
InChIKeyRPLBQCJTFFIGDQ-UHFFFAOYSA-N
XLogP0.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
5-chloro-6-hydrazinyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62243839
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
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106098399
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172629

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide (CID 62170242) is N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C)C(N)=O)cc1Cl.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is RPLBQCJTFFIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-5(8(12)16)15-10(17)6-3-7(11)9(13-2)14-4-6/h3-5H,1-2H3,(H2,12,16)(H,13,14)(H,15,17).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62170242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).