N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

C23H25FN4O2 — CID 134804672

IUPACN-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
InChIInChI=1S/C23H25FN4O2/c24-18-3-1-4-19(10-18)26-23(30)16-7-8-21(25-11-16)27-12-15-9-17(14-27)20-5-2-6-22(29)28(20)13-15/h1,3-4,7-8,10-11,15,17,20H,2,5-6,9,12-14H2,(H,26,30)/t15?,17?,20-/m1/s1
InChIKeyPIWKEFWWUHYXBY-MKJPBZQASA-N
MW408.48 g/mol
LogP3.31
Rot. Bonds3

About N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 134804672) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
PubChem CID134804672
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
InChIInChI=1S/C23H25FN4O2/c24-18-3-1-4-19(10-18)26-23(30)16-7-8-21(25-11-16)27-12-15-9-17(14-27)20-5-2-6-22(29)28(20)13-15/h1,3-4,7-8,10-11,15,17,20H,2,5-6,9,12-14H2,(H,26,30)/t15?,17?,20-/m1/s1
InChIKeyPIWKEFWWUHYXBY-MKJPBZQASA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 134804672) is N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1.
What is the InChIKey of N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The InChIKey is PIWKEFWWUHYXBY-MKJPBZQASA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-3-1-4-19(10-18)26-23(30)16-7-8-21(25-11-16)27-12-15-9-17(14-27)20-5-2-6-22(29)28(20)13-15/h1,3-4,7-8,10-11,15,17,20H,2,5-6,9,12-14H2,(H,26,30)/t15?,17?,20-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134804672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).