N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide

C17H21N3O — CID 109239269

IUPACN-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H21N3O/c1-12-7-5-6-8-15(12)19-14-9-13(10-18-11-14)16(21)20-17(2,3)4/h5-11,19H,1-4H3,(H,20,21)
InChIKeyOYGOXWHHTLOOGK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.66
Rot. Bonds3

About N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide

N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide (PubChem CID 109239269) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
PubChem CID109239269
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H21N3O/c1-12-7-5-6-8-15(12)19-14-9-13(10-18-11-14)16(21)20-17(2,3)4/h5-11,19H,1-4H3,(H,20,21)
InChIKeyOYGOXWHHTLOOGK-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-5-(2-methylanilino)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

N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide (CID 109239269) is N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide is Cc1ccccc1Nc1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide?
The InChIKey is OYGOXWHHTLOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-5-6-8-15(12)19-14-9-13(10-18-11-14)16(21)20-17(2,3)4/h5-11,19H,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide?
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).