trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide

C10H12N2O2 — CID 141282806

IUPACtrans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1C[C@H]1CO
InChIInChI=1S/C10H12N2O2/c13-6-7-5-8(7)10(14)12-9-3-1-2-4-11-9/h1-4,7-8,13H,5-6H2,(H,11,12,14)/t7-,8-/m0/s1
InChIKeyZZGCLPAWQAJYEC-YUMQZZPRSA-N
MW192.22 g/mol
LogP0.65
Rot. Bonds3

About trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide

trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 141282806) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID141282806
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nametrans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1C[C@H]1CO
InChIInChI=1S/C10H12N2O2/c13-6-7-5-8(7)10(14)12-9-3-1-2-4-11-9/h1-4,7-8,13H,5-6H2,(H,11,12,14)/t7-,8-/m0/s1
InChIKeyZZGCLPAWQAJYEC-YUMQZZPRSA-N
XLogP0.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol
CID 130621194
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
CID 23934530
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 141282806) is trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccccn1)[C@H]1C[C@H]1CO.
What is the InChIKey of trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is ZZGCLPAWQAJYEC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-6-7-5-8(7)10(14)12-9-3-1-2-4-11-9/h1-4,7-8,13H,5-6H2,(H,11,12,14)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide?
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 141282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).