5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide

C17H21N3O3 — CID 109223294

IUPAC5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2cncc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H21N3O3/c1-11(2)19-17(21)12-7-13(10-18-9-12)20-15-8-14(22-3)5-6-16(15)23-4/h5-11,20H,1-4H3,(H,19,21)
InChIKeyCRNCPHGETOXGOX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.98
Rot. Bonds6

About 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide

5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223294) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223294
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2cncc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H21N3O3/c1-11(2)19-17(21)12-7-13(10-18-9-12)20-15-8-14(22-3)5-6-16(15)23-4/h5-11,20H,1-4H3,(H,19,21)
InChIKeyCRNCPHGETOXGOX-UHFFFAOYSA-N
XLogP2.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-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

N-cyclopentyl-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109226008
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243138
5-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244111
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109244383
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
N-(2,5-dimethoxyphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109244180
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223294) is 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide is COc1ccc(OC)c(Nc2cncc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CRNCPHGETOXGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)19-17(21)12-7-13(10-18-9-12)20-15-8-14(22-3)5-6-16(15)23-4/h5-11,20H,1-4H3,(H,19,21).
What are the key properties of 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide?
5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).