2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide

C23H26N4O — CID 109173191

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-23(28)19-10-14-25-22(16-19)27(3)15-11-18-8-12-24-13-9-18/h4-10,12-14,16-17H,11,15H2,1-3H3,(H,26,28)
InChIKeyIIHXSVUMTRITPG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.53
Rot. Bonds7

About 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 109173191) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID109173191
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-23(28)19-10-14-25-22(16-19)27(3)15-11-18-8-12-24-13-9-18/h4-10,12-14,16-17H,11,15H2,1-3H3,(H,26,28)
InChIKeyIIHXSVUMTRITPG-UHFFFAOYSA-N
XLogP4.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260702
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109173218
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109173178
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide (CID 109173191) is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(N(C)CCc2ccncc2)c1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is IIHXSVUMTRITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-23(28)19-10-14-25-22(16-19)27(3)15-11-18-8-12-24-13-9-18/h4-10,12-14,16-17H,11,15H2,1-3H3,(H,26,28).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).