N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C24H28N4O — CID 109214677

IUPACN-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C24H28N4O/c1-17(2)21-7-5-6-18(3)23(21)27-20-10-14-26-22(16-20)24(29)28(4)15-11-19-8-12-25-13-9-19/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,26,27)
InChIKeyUJNCZVHGFCWFPK-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.97
Rot. Bonds7

About N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109214677) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109214677
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C24H28N4O/c1-17(2)21-7-5-6-18(3)23(21)27-20-10-14-26-22(16-20)24(29)28(4)15-11-19-8-12-25-13-9-19/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,26,27)
InChIKeyUJNCZVHGFCWFPK-UHFFFAOYSA-N
XLogP4.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172019

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109214677) is N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is Cc1cccc(C(C)C)c1Nc1ccnc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is UJNCZVHGFCWFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)21-7-5-6-18(3)23(21)27-20-10-14-26-22(16-20)24(29)28(4)15-11-19-8-12-25-13-9-19/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,26,27).
What are the key properties of N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).