3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

C24H25N3O2 — CID 109055548

IUPAC3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)21-9-7-8-20(18-21)23(28)26(2)17-14-19-12-15-25-16-13-19/h4-13,15-16,18H,3,14,17H2,1-2H3
InChIKeyPXSHBKYSHQRIEL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.06
Rot. Bonds7

About 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109055548) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109055548
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)21-9-7-8-20(18-21)23(28)26(2)17-14-19-12-15-25-16-13-19/h4-13,15-16,18H,3,14,17H2,1-2H3
InChIKeyPXSHBKYSHQRIEL-UHFFFAOYSA-N
XLogP4.06
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 109331197
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109055548) is 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)N(C)CCc2ccncc2)c1)c1ccccc1.
What is the InChIKey of 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is PXSHBKYSHQRIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)21-9-7-8-20(18-21)23(28)26(2)17-14-19-12-15-25-16-13-19/h4-13,15-16,18H,3,14,17H2,1-2H3.
What are the key properties of 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).