N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide

C17H20N2O — CID 53020757

IUPACN-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-3-4-9-19-17(20)16-10-15(11-18-12-16)14-7-5-13(2)6-8-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyDUDJLXAUNRWACT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds5

About N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide

N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 53020757) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID53020757
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-3-4-9-19-17(20)16-10-15(11-18-12-16)14-7-5-13(2)6-8-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyDUDJLXAUNRWACT-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 42845893
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-butyl-5-(1,2-dihydropyridin-5-yl)pyridine-3-carboxamide
CID 143120443
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide (CID 53020757) is N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(-c2ccc(C)cc2)c1.
What is the InChIKey of N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DUDJLXAUNRWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-4-9-19-17(20)16-10-15(11-18-12-16)14-7-5-13(2)6-8-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide?
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 53020757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).