1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide

C21H24N2O3 — CID 91768818

IUPAC1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(21(10-11-21)16-6-2-1-3-7-16)23-18-15-25-13-9-19(18)26-14-17-8-4-5-12-22-17/h1-8,12,18-19H,9-11,13-15H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyIVUXWGYQFBBPPY-RTBURBONSA-N
MW352.43 g/mol
LogP2.60
Rot. Bonds6

About 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide

1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide (PubChem CID 91768818) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
PubChem CID91768818
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c24-20(21(10-11-21)16-6-2-1-3-7-16)23-18-15-25-13-9-19(18)26-14-17-8-4-5-12-22-17/h1-8,12,18-19H,9-11,13-15H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyIVUXWGYQFBBPPY-RTBURBONSA-N
XLogP2.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
1-[(4-fluorophenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91764941
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 91786809

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide (CID 91768818) is 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide is O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IVUXWGYQFBBPPY-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(21(10-11-21)16-6-2-1-3-7-16)23-18-15-25-13-9-19(18)26-14-17-8-4-5-12-22-17/h1-8,12,18-19H,9-11,13-15H2,(H,23,24)/t18-,19-/m1/s1.
What are the key properties of 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).