N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

C18H19N3O2 — CID 58692675

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC1CC2CCC1C2)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C18H19N3O2/c22-17-15(9-14(10-20-17)12-3-5-19-6-4-12)18(23)21-16-8-11-1-2-13(16)7-11/h3-6,9-11,13,16H,1-2,7-8H2,(H,20,22)(H,21,23)
InChIKeyDYQGZANFVBFAGU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.36
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 58692675) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID58692675
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(NC1CC2CCC1C2)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C18H19N3O2/c22-17-15(9-14(10-20-17)12-3-5-19-6-4-12)18(23)21-16-8-11-1-2-13(16)7-11/h3-6,9-11,13,16H,1-2,7-8H2,(H,20,22)(H,21,23)
InChIKeyDYQGZANFVBFAGU-UHFFFAOYSA-N
XLogP2.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 58692675) is N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is O=C(NC1CC2CCC1C2)c1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is DYQGZANFVBFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-15(9-14(10-20-17)12-3-5-19-6-4-12)18(23)21-16-8-11-1-2-13(16)7-11/h3-6,9-11,13,16H,1-2,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 58692675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).