N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide

C15H24N2O — CID 18735846

IUPACN-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCC(C)(C)C)C(=O)c1cccnc1
InChIInChI=1S/C15H24N2O/c1-5-10-17(11-8-15(2,3)4)14(18)13-7-6-9-16-12-13/h6-7,9,12H,5,8,10-11H2,1-4H3
InChIKeyNSDDDHNAZNRYBP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.37
Rot. Bonds5

About N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide

N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide (PubChem CID 18735846) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
PubChem CID18735846
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCC(C)(C)C)C(=O)c1cccnc1
InChIInChI=1S/C15H24N2O/c1-5-10-17(11-8-15(2,3)4)14(18)13-7-6-9-16-12-13/h6-7,9,12H,5,8,10-11H2,1-4H3
InChIKeyNSDDDHNAZNRYBP-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutyl)-N-propylpyridine-3-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-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325412
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide (CID 18735846) is N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide is CCCN(CCC(C)(C)C)C(=O)c1cccnc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide?
The InChIKey is NSDDDHNAZNRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-10-17(11-8-15(2,3)4)14(18)13-7-6-9-16-12-13/h6-7,9,12H,5,8,10-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide?
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 18735846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).