cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C18H17N3O2 — CID 124840237

IUPACcis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C18H17N3O2/c1-23-17-7-3-2-6-13(17)16(10-19)21-18(22)15-9-14(15)12-5-4-8-20-11-12/h2-8,11,14-16H,9H2,1H3,(H,21,22)/t14-,15-,16-/m0/s1
InChIKeyQEBNWRXCUUBQDT-JYJNAYRXSA-N
MW307.35 g/mol
LogP2.57
Rot. Bonds5

About cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 124840237) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID124840237
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namecis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C18H17N3O2/c1-23-17-7-3-2-6-13(17)16(10-19)21-18(22)15-9-14(15)12-5-4-8-20-11-12/h2-8,11,14-16H,9H2,1H3,(H,21,22)/t14-,15-,16-/m0/s1
InChIKeyQEBNWRXCUUBQDT-JYJNAYRXSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
CID 95782138
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide
CID 94388489
cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
CID 97007262

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 124840237) is cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is COc1ccccc1[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccnc1.
What is the InChIKey of cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is QEBNWRXCUUBQDT-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-7-3-2-6-13(17)16(10-19)21-18(22)15-9-14(15)12-5-4-8-20-11-12/h2-8,11,14-16H,9H2,1H3,(H,21,22)/t14-,15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 124840237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).