2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C22H22N4O2 — CID 109087593

IUPAC2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NCc2ccncc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C22H22N4O2/c1-3-26(19-6-4-5-16(2)13-19)22(28)20-14-18(9-12-24-20)21(27)25-15-17-7-10-23-11-8-17/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUJSDARZHOAQIOE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.38
Rot. Bonds6

About 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087593) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087593
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NCc2ccncc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C22H22N4O2/c1-3-26(19-6-4-5-16(2)13-19)22(28)20-14-18(9-12-24-20)21(27)25-15-17-7-10-23-11-8-17/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUJSDARZHOAQIOE-UHFFFAOYSA-N
XLogP3.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087759
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
2-N-ethyl-2-N-(3-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090530
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109211612
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109084517
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087593) is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)NCc2ccncc2)ccn1)c1cccc(C)c1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is UJSDARZHOAQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-26(19-6-4-5-16(2)13-19)22(28)20-14-18(9-12-24-20)21(27)25-15-17-7-10-23-11-8-17/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).