N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide

C25H25FN2O3 — CID 25292090

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C25H25FN2O3/c26-22-4-1-3-20(15-22)18-31-23-8-6-19(7-9-23)16-28(17-24-5-2-14-30-24)25(29)21-10-12-27-13-11-21/h1,3-4,6-13,15,24H,2,5,14,16-18H2/t24-/m0/s1
InChIKeyNXWCMSKJZRSVRZ-DEOSSOPVSA-N
MW420.48 g/mol
LogP4.62
Rot. Bonds8

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 25292090) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID25292090
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C25H25FN2O3/c26-22-4-1-3-20(15-22)18-31-23-8-6-19(7-9-23)16-28(17-24-5-2-14-30-24)25(29)21-10-12-27-13-11-21/h1,3-4,6-13,15,24H,2,5,14,16-18H2/t24-/m0/s1
InChIKeyNXWCMSKJZRSVRZ-DEOSSOPVSA-N
XLogP4.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42542215
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42405441
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide (CID 25292090) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(c1ccncc1)N(Cc1ccc(OCc2cccc(F)c2)cc1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is NXWCMSKJZRSVRZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-22-4-1-3-20(15-22)18-31-23-8-6-19(7-9-23)16-28(17-24-5-2-14-30-24)25(29)21-10-12-27-13-11-21/h1,3-4,6-13,15,24H,2,5,14,16-18H2/t24-/m0/s1.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 25292090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).