N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C23H26N4O — CID 109192889

IUPACN-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nc1
InChIInChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-19-8-9-22(25-16-19)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17,26H,12,15H2,1-3H3
InChIKeyLRNALJYDYLHWGN-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.66
Rot. Bonds7

About N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109192889) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109192889
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nc1
InChIInChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-19-8-9-22(25-16-19)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17,26H,12,15H2,1-3H3
InChIKeyLRNALJYDYLHWGN-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026055
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214677
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192863
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109192889) is N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CC(C)c1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nc1.
What is the InChIKey of N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is LRNALJYDYLHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)20-6-4-5-7-21(20)26-19-8-9-22(25-16-19)23(28)27(3)15-12-18-10-13-24-14-11-18/h4-11,13-14,16-17,26H,12,15H2,1-3H3.
What are the key properties of N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).