N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide

C19H21FN2O2 — CID 94633633

IUPACN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H21FN2O2/c20-16-8-6-15(7-9-16)19(17-4-2-12-24-17)22-18(23)10-5-14-3-1-11-21-13-14/h1,3,6-9,11,13,17,19H,2,4-5,10,12H2,(H,22,23)/t17-,19-/m1/s1
InChIKeyMKFYHXYBAOKPPE-IEBWSBKVSA-N
MW328.39 g/mol
LogP3.19
Rot. Bonds6

About N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide

N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 94633633) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID94633633
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H21FN2O2/c20-16-8-6-15(7-9-16)19(17-4-2-12-24-17)22-18(23)10-5-14-3-1-11-21-13-14/h1,3,6-9,11,13,17,19H,2,4-5,10,12H2,(H,22,23)/t17-,19-/m1/s1
InChIKeyMKFYHXYBAOKPPE-IEBWSBKVSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 97313525
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 124761427
3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
CID 124625525
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651397

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide (CID 94633633) is N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is MKFYHXYBAOKPPE-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-8-6-15(7-9-16)19(17-4-2-12-24-17)22-18(23)10-5-14-3-1-11-21-13-14/h1,3,6-9,11,13,17,19H,2,4-5,10,12H2,(H,22,23)/t17-,19-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 94633633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).