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

C22H24N4O — CID 109172019

IUPAC2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C22H24N4O/c1-15(2)19-6-4-5-16(3)21(19)26-20-13-18(9-12-24-20)22(27)25-14-17-7-10-23-11-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGTNDWLWMNRHCJW-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.58
Rot. Bonds6

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

2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 109172019) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID109172019
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C22H24N4O/c1-15(2)19-6-4-5-16(3)21(19)26-20-13-18(9-12-24-20)22(27)25-14-17-7-10-23-11-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGTNDWLWMNRHCJW-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
2-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170627
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 109172019) is 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is Cc1cccc(C(C)C)c1Nc1cc(C(=O)NCc2ccncc2)ccn1.
What is the InChIKey of 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is GTNDWLWMNRHCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)19-6-4-5-16(3)21(19)26-20-13-18(9-12-24-20)22(27)25-14-17-7-10-23-11-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109172019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).