N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

C18H24N4O — CID 109192950

IUPACN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)c1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C18H24N4O/c1-18(2,3)21-17(23)16-6-5-15(13-20-16)22(4)12-9-14-7-10-19-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,23)
InChIKeyUHBZWVNBKKZEIB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds5

About N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (PubChem CID 109192950) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
PubChem CID109192950
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)c1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C18H24N4O/c1-18(2,3)21-17(23)16-6-5-15(13-20-16)22(4)12-9-14-7-10-19-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,23)
InChIKeyUHBZWVNBKKZEIB-UHFFFAOYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-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-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
N-tert-butyl-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109195052
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109192958
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192474
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (CID 109192950) is N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is CN(CCc1ccncc1)c1ccc(C(=O)NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The InChIKey is UHBZWVNBKKZEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,3)21-17(23)16-6-5-15(13-20-16)22(4)12-9-14-7-10-19-11-8-14/h5-8,10-11,13H,9,12H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109192950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).