5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide

C19H26N4O — CID 109237075

IUPAC5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C19H26N4O/c1-3-4-5-9-22-19(24)17-13-18(15-21-14-17)23(2)12-8-16-6-10-20-11-7-16/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,22,24)
InChIKeyXXWKFAUAAOCRBA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.08
Rot. Bonds9

About 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide

5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide (PubChem CID 109237075) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
PubChem CID109237075
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C19H26N4O/c1-3-4-5-9-22-19(24)17-13-18(15-21-14-17)23(2)12-8-16-6-10-20-11-7-16/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,22,24)
InChIKeyXXWKFAUAAOCRBA-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-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-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide (CID 109237075) is 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1.
What is the InChIKey of 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide?
The InChIKey is XXWKFAUAAOCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-5-9-22-19(24)17-13-18(15-21-14-17)23(2)12-8-16-6-10-20-11-7-16/h6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3,(H,22,24).
What are the key properties of 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide?
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109237075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).