N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide

C19H19N3O — CID 711450

IUPACN-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(c(-c3ccccc3)c1C#N)CCCCC2
InChIInChI=1S/C19H19N3O/c1-13(23)21-19-16(12-20)18(14-8-4-2-5-9-14)15-10-6-3-7-11-17(15)22-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeyUMLMNMLBNOSCQK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.85
Rot. Bonds2

About N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide

N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide (PubChem CID 711450) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
PubChem CID711450
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(c(-c3ccccc3)c1C#N)CCCCC2
InChIInChI=1S/C19H19N3O/c1-13(23)21-19-16(12-20)18(14-8-4-2-5-9-14)15-10-6-3-7-11-17(15)22-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,21,22,23)
InChIKeyUMLMNMLBNOSCQK-UHFFFAOYSA-N
XLogP3.85
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide (CID 711450) is N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide is CC(=O)Nc1nc2c(c(-c3ccccc3)c1C#N)CCCCC2.
What is the InChIKey of N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide?
The InChIKey is UMLMNMLBNOSCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(23)21-19-16(12-20)18(14-8-4-2-5-9-14)15-10-6-3-7-11-17(15)22-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide?
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide is sourced from PubChem (CID 711450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).