trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C19H22N2O2S — CID 124866651

IUPACtrans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C19H22N2O2S/c22-19(18-10-17(18)14-4-1-7-20-11-14)21(12-15-5-2-8-23-15)13-16-6-3-9-24-16/h1,3-4,6-7,9,11,15,17-18H,2,5,8,10,12-13H2/t15-,17+,18-/m1/s1
InChIKeyDLMBHEIFHYXCQT-BPQIPLTHSA-N
MW342.46 g/mol
LogP3.45
Rot. Bonds6

About trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 124866651) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID124866651
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Nametrans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C19H22N2O2S/c22-19(18-10-17(18)14-4-1-7-20-11-14)21(12-15-5-2-8-23-15)13-16-6-3-9-24-16/h1,3-4,6-7,9,11,15,17-18H,2,5,8,10,12-13H2/t15-,17+,18-/m1/s1
InChIKeyDLMBHEIFHYXCQT-BPQIPLTHSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
(2R)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 46123916
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 124866651) is trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is DLMBHEIFHYXCQT-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-19(18-10-17(18)14-4-1-7-20-11-14)21(12-15-5-2-8-23-15)13-16-6-3-9-24-16/h1,3-4,6-7,9,11,15,17-18H,2,5,8,10,12-13H2/t15-,17+,18-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124866651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).