N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide

C20H27N3O — CID 109151740

IUPACN-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-5-6-12-21-20(24)16-10-11-18(22-13-16)23-19-15(4)8-7-9-17(19)14(2)3/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyORIZPHZVNHIRDB-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.79
Rot. Bonds7

About N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide

N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109151740) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109151740
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-5-6-12-21-20(24)16-10-11-18(22-13-16)23-19-15(4)8-7-9-17(19)14(2)3/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyORIZPHZVNHIRDB-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'}

Analyze N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
CID 109272506
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide (CID 109151740) is N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2c(C)cccc2C(C)C)nc1.
What is the InChIKey of N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is ORIZPHZVNHIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-6-12-21-20(24)16-10-11-18(22-13-16)23-19-15(4)8-7-9-17(19)14(2)3/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide?
N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-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-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109151740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).