cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide

C15H20N2O3 — CID 136586953

IUPACcis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-12-5-10(7-16-9-12)8-17-15(19)14-6-13(14)11-1-3-20-4-2-11/h5,7,9,11,13-14,18H,1-4,6,8H2,(H,17,19)/t13-,14+/m0/s1
InChIKeyNBDAAWCGQWUHJM-UONOGXRCSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds4

About cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide (PubChem CID 136586953) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
PubChem CID136586953
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-12-5-10(7-16-9-12)8-17-15(19)14-6-13(14)11-1-3-20-4-2-11/h5,7,9,11,13-14,18H,1-4,6,8H2,(H,17,19)/t13-,14+/m0/s1
InChIKeyNBDAAWCGQWUHJM-UONOGXRCSA-N
XLogP1.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
CID 138011282
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 164642532
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
(1R,2S,4S)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98165229
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062
1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 10024863
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide (CID 136586953) is cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide is O=C(NCc1cncc(O)c1)[C@@H]1C[C@H]1C1CCOCC1.
What is the InChIKey of cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NBDAAWCGQWUHJM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-12-5-10(7-16-9-12)8-17-15(19)14-6-13(14)11-1-3-20-4-2-11/h5,7,9,11,13-14,18H,1-4,6,8H2,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136586953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).