8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide

C18H16N4O3 — CID 167865161

IUPAC8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide
SMILESO=C(NCc1cc2c([nH]c1=O)CCC2)c1ccc2cc[nH]c(=O)c2n1
InChIInChI=1S/C18H16N4O3/c23-16-12(8-11-2-1-3-13(11)22-16)9-20-17(24)14-5-4-10-6-7-19-18(25)15(10)21-14/h4-8H,1-3,9H2,(H,19,25)(H,20,24)(H,22,23)
InChIKeyXUCRSXPDXWOMOO-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.03
Rot. Bonds3

About 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide

8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide (PubChem CID 167865161) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide
PubChem CID167865161
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide
SMILESO=C(NCc1cc2c([nH]c1=O)CCC2)c1ccc2cc[nH]c(=O)c2n1
InChIInChI=1S/C18H16N4O3/c23-16-12(8-11-2-1-3-13(11)22-16)9-20-17(24)14-5-4-10-6-7-19-18(25)15(10)21-14/h4-8H,1-3,9H2,(H,19,25)(H,20,24)(H,22,23)
InChIKeyXUCRSXPDXWOMOO-UHFFFAOYSA-N
XLogP1.03
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide (CID 167865161) is 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide is O=C(NCc1cc2c([nH]c1=O)CCC2)c1ccc2cc[nH]c(=O)c2n1.
What is the InChIKey of 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide?
The InChIKey is XUCRSXPDXWOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16-12(8-11-2-1-3-13(11)22-16)9-20-17(24)14-5-4-10-6-7-19-18(25)15(10)21-14/h4-8H,1-3,9H2,(H,19,25)(H,20,24)(H,22,23).
What are the key properties of 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide?
8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-7H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 167865161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).