1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide

C15H15N3O2 — CID 70972162

IUPAC1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C15H15N3O2/c1-2-17-14(19)11-4-3-5-12(10-11)15(20)18-13-6-8-16-9-7-13/h3-10H,2H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyZDCBFKPDHMGGID-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.08
Rot. Bonds4

About 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide

1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide (PubChem CID 70972162) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
PubChem CID70972162
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C15H15N3O2/c1-2-17-14(19)11-4-3-5-12(10-11)15(20)18-13-6-8-16-9-7-13/h3-10H,2H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyZDCBFKPDHMGGID-UHFFFAOYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
N-[3-(ethylcarbamoyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63859405
3-acetamido-N-ethylbenzamide
CID 17230670
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
4-benzamido-N-ethylbenzamide
CID 17153265
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide (CID 70972162) is 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide is CCNC(=O)c1cccc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide?
The InChIKey is ZDCBFKPDHMGGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-17-14(19)11-4-3-5-12(10-11)15(20)18-13-6-8-16-9-7-13/h3-10H,2H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide?
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 70972162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).