N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H14F2N2O2 — CID 18427604

IUPACN-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C16H14F2N2O2/c17-12-4-2-5-13(18)10(12)7-20-16(22)11-8-19-14-6-1-3-9(14)15(11)21/h2,4-5,8H,1,3,6-7H2,(H,19,21)(H,20,22)
InChIKeyOJDNYCFBCIPYDQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.07
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 18427604) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID18427604
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C16H14F2N2O2/c17-12-4-2-5-13(18)10(12)7-20-16(22)11-8-19-14-6-1-3-9(14)15(11)21/h2,4-5,8H,1,3,6-7H2,(H,19,21)(H,20,22)
InChIKeyOJDNYCFBCIPYDQ-UHFFFAOYSA-N
XLogP2.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 18427604) is N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCc1c(F)cccc1F)c1c[nH]c2c(c1=O)CCC2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is OJDNYCFBCIPYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-12-4-2-5-13(18)10(12)7-20-16(22)11-8-19-14-6-1-3-9(14)15(11)21/h2,4-5,8H,1,3,6-7H2,(H,19,21)(H,20,22).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 18427604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).