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

C19H23N3O2 — CID 46932084

IUPAC1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22(6-3)17-8-7-13-20-14-17/h7-14H,4-6H2,1-3H3
InChIKeyBCKUZUBAOWHACI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.23
Rot. Bonds6

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

1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (PubChem CID 46932084) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
PubChem CID46932084
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22(6-3)17-8-7-13-20-14-17/h7-14H,4-6H2,1-3H3
InChIKeyBCKUZUBAOWHACI-UHFFFAOYSA-N
XLogP3.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (CID 46932084) is 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)N(CC)c2cccnc2)cc1.
What is the InChIKey of 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
The InChIKey is BCKUZUBAOWHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22(6-3)17-8-7-13-20-14-17/h7-14H,4-6H2,1-3H3.
What are the key properties of 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 46932084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).