4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide

C19H25N3O — CID 109217517

IUPAC4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(C)c2C)ccn1
InChIInChI=1S/C19H25N3O/c1-4-5-6-11-21-19(23)18-13-16(10-12-20-18)22-17-9-7-8-14(2)15(17)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFITPMOJVJCXBJQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.36
Rot. Bonds7

About 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide

4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109217517) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109217517
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(C)c2C)ccn1
InChIInChI=1S/C19H25N3O/c1-4-5-6-11-21-19(23)18-13-16(10-12-20-18)22-17-9-7-8-14(2)15(17)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFITPMOJVJCXBJQ-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.36
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

4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219346
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide (CID 109217517) is 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(Nc2cccc(C)c2C)ccn1.
What is the InChIKey of 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is FITPMOJVJCXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-6-11-21-19(23)18-13-16(10-12-20-18)22-17-9-7-8-14(2)15(17)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide?
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109217517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).