2-(2-methylanilino)-N-pentylpyridine-4-carboxamide

C18H23N3O — CID 109175321

IUPAC2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccccc2C)c1
InChIInChI=1S/C18H23N3O/c1-3-4-7-11-20-18(22)15-10-12-19-17(13-15)21-16-9-6-5-8-14(16)2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBBVZYSPUUFHBGN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.05
Rot. Bonds7

About 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide

2-(2-methylanilino)-N-pentylpyridine-4-carboxamide (PubChem CID 109175321) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
PubChem CID109175321
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccccc2C)c1
InChIInChI=1S/C18H23N3O/c1-3-4-7-11-20-18(22)15-10-12-19-17(13-15)21-16-9-6-5-8-14(16)2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBBVZYSPUUFHBGN-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
CID 109165472
2-(4-bromo-3-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175383
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide (CID 109175321) is 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1ccnc(Nc2ccccc2C)c1.
What is the InChIKey of 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide?
The InChIKey is BBVZYSPUUFHBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-7-11-20-18(22)15-10-12-19-17(13-15)21-16-9-6-5-8-14(16)2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide?
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 109175321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).