N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide

C18H19N3O4 — CID 95307617

IUPACN-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccnc1OC
InChIInChI=1S/C18H19N3O4/c1-24-15-8-4-3-6-11(15)12-10-14(12)21-17(23)16(22)20-13-7-5-9-19-18(13)25-2/h3-9,12,14H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-,14+/m1/s1
InChIKeyXCHVDKXGMHYPBF-OCCSQVGLSA-N
MW341.37 g/mol
LogP1.71
Rot. Bonds5

About N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide

N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide (PubChem CID 95307617) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
PubChem CID95307617
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccnc1OC
InChIInChI=1S/C18H19N3O4/c1-24-15-8-4-3-6-11(15)12-10-14(12)21-17(23)16(22)20-13-7-5-9-19-18(13)25-2/h3-9,12,14H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-,14+/m1/s1
InChIKeyXCHVDKXGMHYPBF-OCCSQVGLSA-N
XLogP1.71
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 96999764
2-methoxy-N-[3-(2-methoxyphenyl)cyclobutyl]pyridin-3-amine
CID 43721955
3-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95322792
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
N'-(3-hydroxy-2-pyridinyl)-N-(2-methoxyphenyl)oxamide
CID 11087413
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
N-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-N'-(2-methylphenyl)oxamide
CID 95300072
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 98231928
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The IUPAC name of N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide (CID 95307617) is N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide.
What is the SMILES notation for N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The canonical SMILES for N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide is COc1ccccc1[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccnc1OC.
What is the InChIKey of N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
The InChIKey is XCHVDKXGMHYPBF-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-15-8-4-3-6-11(15)12-10-14(12)21-17(23)16(22)20-13-7-5-9-19-18(13)25-2/h3-9,12,14H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide?
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide has a molecular weight of 341.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide is sourced from PubChem (CID 95307617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).