N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H18FN3O2 — CID 170254985

IUPACN-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC1CCC2=C1C(O)=C(C(=O)Nc1ccc(F)cn1)CN2C
InChIInChI=1S/C16H18FN3O2/c1-9-3-5-12-14(9)15(21)11(8-20(12)2)16(22)19-13-6-4-10(17)7-18-13/h4,6-7,9,21H,3,5,8H2,1-2H3,(H,18,19,22)
InChIKeyVIBOSPSAYRXELM-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.60
Rot. Bonds2

About N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 170254985) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID170254985
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC1CCC2=C1C(O)=C(C(=O)Nc1ccc(F)cn1)CN2C
InChIInChI=1S/C16H18FN3O2/c1-9-3-5-12-14(9)15(21)11(8-20(12)2)16(22)19-13-6-4-10(17)7-18-13/h4,6-7,9,21H,3,5,8H2,1-2H3,(H,18,19,22)
InChIKeyVIBOSPSAYRXELM-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 170254985) is N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is CC1CCC2=C1C(O)=C(C(=O)Nc1ccc(F)cn1)CN2C.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is VIBOSPSAYRXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-9-3-5-12-14(9)15(21)11(8-20(12)2)16(22)19-13-6-4-10(17)7-18-13/h4,6-7,9,21H,3,5,8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-hydroxy-1,5-dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 170254985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).