N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide

C21H24N2O3 — CID 91786809

IUPACN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-17(13-22-15)26-19-9-12-25-14-18(19)23-20(24)21(10-11-21)16-5-3-2-4-6-16/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyIUYJFDANNGKXPM-MOPGFXCFSA-N
MW352.43 g/mol
LogP2.77
Rot. Bonds5

About N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 91786809) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID91786809
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-17(13-22-15)26-19-9-12-25-14-18(19)23-20(24)21(10-11-21)16-5-3-2-4-6-16/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyIUYJFDANNGKXPM-MOPGFXCFSA-N
XLogP2.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.77
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
N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
CID 133264780
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
3-(methanesulfonamido)-N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]propanamide
CID 91789955
N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 133260542
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide
CID 91780944
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 91771832
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 91786809) is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is IUYJFDANNGKXPM-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-8-17(13-22-15)26-19-9-12-25-14-18(19)23-20(24)21(10-11-21)16-5-3-2-4-6-16/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,24)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 91786809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).