1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide

C14H15N3O — CID 160626951

IUPAC1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide
SMILESNC(=O)C1=CC=CC=CC=CC=CNC=C/N=C\1
InChIInChI=1S/C14H15N3O/c15-14(18)13-8-6-4-2-1-3-5-7-9-16-10-11-17-12-13/h1-12,16H,(H2,15,18)/b2-1?,5-3?,6-4?,9-7?,11-10?,13-8?,17-12-
InChIKeyULJSEFQAHPANTJ-FGWZRLRWSA-N
MW241.29 g/mol
LogP1.73
Rot. Bonds1

About 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide

1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide (PubChem CID 160626951) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide.

Molecular Properties

Compound Name1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide
PubChem CID160626951
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide
SMILESNC(=O)C1=CC=CC=CC=CC=CNC=C/N=C\1
InChIInChI=1S/C14H15N3O/c15-14(18)13-8-6-4-2-1-3-5-7-9-16-10-11-17-12-13/h1-12,16H,(H2,15,18)/b2-1?,5-3?,6-4?,9-7?,11-10?,13-8?,17-12-
InChIKeyULJSEFQAHPANTJ-FGWZRLRWSA-N
XLogP1.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide?
The IUPAC name of 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide (CID 160626951) is 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide.
What is the SMILES notation for 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide?
The canonical SMILES for 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide is NC(=O)C1=CC=CC=CC=CC=CNC=C/N=C\1.
What is the InChIKey of 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide?
The InChIKey is ULJSEFQAHPANTJ-FGWZRLRWSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)13-8-6-4-2-1-3-5-7-9-16-10-11-17-12-13/h1-12,16H,(H2,15,18)/b2-1?,5-3?,6-4?,9-7?,11-10?,13-8?,17-12-.
What are the key properties of 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide?
1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene-6-carboxamide is sourced from PubChem (CID 160626951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).