N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide

C19H25N3O — CID 109190719

IUPACN-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C19H25N3O/c1-5-22(14-15-9-7-6-8-10-15)18(23)17-12-11-16(13-20-17)21-19(2,3)4/h6-13,21H,5,14H2,1-4H3
InChIKeyQJCBKUJUVIVINS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds5

About N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide

N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide (PubChem CID 109190719) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
PubChem CID109190719
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C19H25N3O/c1-5-22(14-15-9-7-6-8-10-15)18(23)17-12-11-16(13-20-17)21-19(2,3)4/h6-13,21H,5,14H2,1-4H3
InChIKeyQJCBKUJUVIVINS-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-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-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide (CID 109190719) is N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1.
What is the InChIKey of N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide?
The InChIKey is QJCBKUJUVIVINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-22(14-15-9-7-6-8-10-15)18(23)17-12-11-16(13-20-17)21-19(2,3)4/h6-13,21H,5,14H2,1-4H3.
What are the key properties of N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide?
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109190719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).