N-(5-methylhexan-2-yl)pyridine-4-carboxamide

C13H20N2O — CID 42890124

IUPACN-(5-methylhexan-2-yl)pyridine-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyOPWBEUKDHLLDNE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.64
Rot. Bonds5

About N-(5-methylhexan-2-yl)pyridine-4-carboxamide

N-(5-methylhexan-2-yl)pyridine-4-carboxamide (PubChem CID 42890124) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)pyridine-4-carboxamide
PubChem CID42890124
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(5-methylhexan-2-yl)pyridine-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyOPWBEUKDHLLDNE-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-methylhexan-2-yl)pyridine-4-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

N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
N'-(4-methylpentan-2-yl)pyridine-4-carbohydrazide
CID 27512
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
CID 134055978
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)pyridine-4-carboxamide (CID 42890124) is N-(5-methylhexan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)pyridine-4-carboxamide is CC(C)CCC(C)NC(=O)c1ccncc1.
What is the InChIKey of N-(5-methylhexan-2-yl)pyridine-4-carboxamide?
The InChIKey is OPWBEUKDHLLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(5-methylhexan-2-yl)pyridine-4-carboxamide?
N-(5-methylhexan-2-yl)pyridine-4-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 42890124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).