N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide

C19H26N4O — CID 109175537

IUPACN-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)15-11-12-20-18(14-15)21-16-7-9-17(10-8-16)22(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,21)
InChIKeyOZNGNQMGOYUVJO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.76
Rot. Bonds7

About N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide

N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide (PubChem CID 109175537) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
PubChem CID109175537
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)15-11-12-20-18(14-15)21-16-7-9-17(10-8-16)22(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,21)
InChIKeyOZNGNQMGOYUVJO-UHFFFAOYSA-N
XLogP3.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109175534
N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
CID 109175552
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide (CID 109175537) is N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide?
The InChIKey is OZNGNQMGOYUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-13-23(4)19(24)15-11-12-20-18(14-15)21-16-7-9-17(10-8-16)22(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,21).
What are the key properties of N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide?
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109175537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).