3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide

C16H14Cl2N2O2 — CID 97256978

IUPAC3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccncc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c17-11-3-1-10(2-4-11)15-14(6-8-22-15)20-16(21)12-5-7-19-9-13(12)18/h1-5,7,9,14-15H,6,8H2,(H,20,21)/t14-,15+/m0/s1
InChIKeyAPHXQMJCKQZBFX-LSDHHAIUSA-N
MW337.21 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide

3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide (PubChem CID 97256978) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
PubChem CID97256978
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccncc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c17-11-3-1-10(2-4-11)15-14(6-8-22-15)20-16(21)12-5-7-19-9-13(12)18/h1-5,7,9,14-15H,6,8H2,(H,20,21)/t14-,15+/m0/s1
InChIKeyAPHXQMJCKQZBFX-LSDHHAIUSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
3-ethyl-N-[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]pyridine-4-carboxamide
CID 120965701
3-chloro-N-[(1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pyridine-4-carboxamide
CID 97219460
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
CID 71986245
3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
CID 106913068
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide (CID 97256978) is 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide?
The InChIKey is APHXQMJCKQZBFX-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-11-3-1-10(2-4-11)15-14(6-8-22-15)20-16(21)12-5-7-19-9-13(12)18/h1-5,7,9,14-15H,6,8H2,(H,20,21)/t14-,15+/m0/s1.
What are the key properties of 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide?
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97256978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).