5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide

C12H18ClN3O — CID 62186092

IUPAC5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-5-8(2)16-12(17)9-6-10(13)11(14-3)15-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVICNUOBNAHBTBT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide

5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide (PubChem CID 62186092) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
PubChem CID62186092
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-5-8(2)16-12(17)9-6-10(13)11(14-3)15-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVICNUOBNAHBTBT-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5-chloro-6-(ethylamino)-N-hexan-3-ylpyridine-3-carboxamide
CID 62179174
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
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-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide (CID 62186092) is 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide is CCCC(C)NC(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide?
The InChIKey is VICNUOBNAHBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-5-8(2)16-12(17)9-6-10(13)11(14-3)15-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62186092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).