N-cycloheptylcinnoline-3-carboxamide

C16H19N3O — CID 110705102

IUPACN-cycloheptylcinnoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2nn1
InChIInChI=1S/C16H19N3O/c20-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)18-19-15/h5-7,10-11,13H,1-4,8-9H2,(H,17,20)
InChIKeyZJFNINUFBJYBBL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds2

About N-cycloheptylcinnoline-3-carboxamide

N-cycloheptylcinnoline-3-carboxamide (PubChem CID 110705102) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cycloheptylcinnoline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptylcinnoline-3-carboxamide
PubChem CID110705102
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cycloheptylcinnoline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2nn1
InChIInChI=1S/C16H19N3O/c20-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)18-19-15/h5-7,10-11,13H,1-4,8-9H2,(H,17,20)
InChIKeyZJFNINUFBJYBBL-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylcinnoline-3-carboxamide?
The IUPAC name of N-cycloheptylcinnoline-3-carboxamide (CID 110705102) is N-cycloheptylcinnoline-3-carboxamide.
What is the SMILES notation for N-cycloheptylcinnoline-3-carboxamide?
The canonical SMILES for N-cycloheptylcinnoline-3-carboxamide is O=C(NC1CCCCCC1)c1cc2ccccc2nn1.
What is the InChIKey of N-cycloheptylcinnoline-3-carboxamide?
The InChIKey is ZJFNINUFBJYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)18-19-15/h5-7,10-11,13H,1-4,8-9H2,(H,17,20).
What are the key properties of N-cycloheptylcinnoline-3-carboxamide?
N-cycloheptylcinnoline-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylcinnoline-3-carboxamide is sourced from PubChem (CID 110705102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).