N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide

C14H14N2O — CID 170724339

IUPACN-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide
SMILESO=C(NCc1ccccn1)C1=CC=CCC=C1
InChIInChI=1S/C14H14N2O/c17-14(12-7-3-1-2-4-8-12)16-11-13-9-5-6-10-15-13/h1,3-10H,2,11H2,(H,16,17)
InChIKeyLVLXFVXRVSIICN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.14
Rot. Bonds3

About N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide

N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 170724339) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID170724339
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide
SMILESO=C(NCc1ccccn1)C1=CC=CCC=C1
InChIInChI=1S/C14H14N2O/c17-14(12-7-3-1-2-4-8-12)16-11-13-9-5-6-10-15-13/h1,3-10H,2,11H2,(H,16,17)
InChIKeyLVLXFVXRVSIICN-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide (CID 170724339) is N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide is O=C(NCc1ccccn1)C1=CC=CCC=C1.
What is the InChIKey of N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is LVLXFVXRVSIICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(12-7-3-1-2-4-8-12)16-11-13-9-5-6-10-15-13/h1,3-10H,2,11H2,(H,16,17).
What are the key properties of N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide?
N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 170724339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).