trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide

C19H22N2O3 — CID 71487375

IUPACtrans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide
SMILES[2H]C([2H])(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C19H22N2O3/c1-2-24-18-9-8-14(11-20-18)17(12-22)21-19(23)16-10-15(16)13-6-4-3-5-7-13/h3-9,11,15-17,22H,2,10,12H2,1H3,(H,21,23)/t15-,16+,17+/m1/s1/i2D2
InChIKeyIPNHOTIKZDNVEY-BAKMXASPSA-N
MW328.41 g/mol
LogP2.43
Rot. Bonds7

About trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 71487375) has the molecular formula C19H22N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID71487375
Molecular FormulaC19H22N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametrans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide
SMILES[2H]C([2H])(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C19H22N2O3/c1-2-24-18-9-8-14(11-20-18)17(12-22)21-19(23)16-10-15(16)13-6-4-3-5-7-13/h3-9,11,15-17,22H,2,10,12H2,1H3,(H,21,23)/t15-,16+,17+/m1/s1/i2D2
InChIKeyIPNHOTIKZDNVEY-BAKMXASPSA-N
XLogP2.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

Suvecaltamide
CID 24765479
Tta-A2
CID 53317097
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl}-2,8-dimethylnonanamide
CID 10074684
Vpc32183
CID 44392752
(2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(pyridin-4-ylmethoxy)phenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide
CID 23644729
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylcyclohexane-1-carboxamide
CID 168280932
hnpsPLA2-IIa Inhibitor, 2f
CID 57339609
6-Cyclopropylmethoxy-5-(4-fluoro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951655
6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethyl-phenyl)-nicotinamide
CID 11951656
(2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride
CID 23625791
2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
CID 24765020
2-(4-cyclopropylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765206

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide (CID 71487375) is trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide is [2H]C([2H])(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1.
What is the InChIKey of trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IPNHOTIKZDNVEY-BAKMXASPSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-18-9-8-14(11-20-18)17(12-22)21-19(23)16-10-15(16)13-6-4-3-5-7-13/h3-9,11,15-17,22H,2,10,12H2,1H3,(H,21,23)/t15-,16+,17+/m1/s1/i2D2.
What are the key properties of trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1R)-1-[6-(1,1-dideuterioethoxy)-3-pyridinyl]-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71487375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).