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

C12H19N3O — CID 104639887

IUPAC5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(NC)cn1
InChIInChI=1S/C12H19N3O/c1-4-9(5-2)15-12(16)11-7-6-10(13-3)8-14-11/h6-9,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyHVWSIYOIEBBINE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds5

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

5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide (PubChem CID 104639887) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
PubChem CID104639887
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(NC)cn1
InChIInChI=1S/C12H19N3O/c1-4-9(5-2)15-12(16)11-7-6-10(13-3)8-14-11/h6-9,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyHVWSIYOIEBBINE-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylamino)-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 104640576
5-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027811
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
5-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 104642834
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641051

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide (CID 104639887) is 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide is CCC(CC)NC(=O)c1ccc(NC)cn1.
What is the InChIKey of 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide?
The InChIKey is HVWSIYOIEBBINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(5-2)15-12(16)11-7-6-10(13-3)8-14-11/h6-9,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide?
5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 104639887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).