4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C22H23FN2O3 — CID 99606986

IUPAC4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O3/c23-21-4-2-1-3-20(21)16-9-12-25(13-10-16)22(26)24-17-5-7-18(8-6-17)28-19-11-14-27-15-19/h1-9,19H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyUBDXHVHPWVTZIJ-IBGZPJMESA-N
MW382.44 g/mol
LogP4.31
Rot. Bonds4

About 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 99606986) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID99606986
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O3/c23-21-4-2-1-3-20(21)16-9-12-25(13-10-16)22(26)24-17-5-7-18(8-6-17)28-19-11-14-27-15-19/h1-9,19H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyUBDXHVHPWVTZIJ-IBGZPJMESA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 99606986) is 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC=C(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UBDXHVHPWVTZIJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-21-4-2-1-3-20(21)16-9-12-25(13-10-16)22(26)24-17-5-7-18(8-6-17)28-19-11-14-27-15-19/h1-9,19H,10-15H2,(H,24,26)/t19-/m0/s1.
What are the key properties of 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 99606986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).