N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

C20H27N3O — CID 109202571

IUPACN-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-5-6-11-22-20(24)18-13-16(10-12-21-18)23-19-15(4)8-7-9-17(19)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNGHRJMOPFHHSFB-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.79
Rot. Bonds7

About N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109202571) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109202571
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-5-6-11-22-20(24)18-13-16(10-12-21-18)23-19-15(4)8-7-9-17(19)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNGHRJMOPFHHSFB-UHFFFAOYSA-N
XLogP4.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.79
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-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214677
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
CID 109272506
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (CID 109202571) is N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is CCCCNC(=O)c1cc(Nc2c(C)cccc2C(C)C)ccn1.
What is the InChIKey of N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is NGHRJMOPFHHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-6-11-22-20(24)18-13-16(10-12-21-18)23-19-15(4)8-7-9-17(19)14(2)3/h7-10,12-14H,5-6,11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109202571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).