cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide

C22H21N3O2 — CID 99800995

IUPACcis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C22H21N3O2/c1-14-23-11-10-20(24-14)15-6-5-7-16(12-15)25-22(26)19-13-18(19)17-8-3-4-9-21(17)27-2/h3-12,18-19H,13H2,1-2H3,(H,25,26)/t18-,19-/m1/s1
InChIKeyOXPHZQLWPMRVGQ-RTBURBONSA-N
MW359.43 g/mol
LogP4.20
Rot. Bonds5

About cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 99800995) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID99800995
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Namecis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C22H21N3O2/c1-14-23-11-10-20(24-14)15-6-5-7-16(12-15)25-22(26)19-13-18(19)17-8-3-4-9-21(17)27-2/h3-12,18-19H,13H2,1-2H3,(H,25,26)/t18-,19-/m1/s1
InChIKeyOXPHZQLWPMRVGQ-RTBURBONSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280482
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39260069
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 95294636

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide (CID 99800995) is cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ccnc(C)n2)c1.
What is the InChIKey of cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OXPHZQLWPMRVGQ-RTBURBONSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-23-11-10-20(24-14)15-6-5-7-16(12-15)25-22(26)19-13-18(19)17-8-3-4-9-21(17)27-2/h3-12,18-19H,13H2,1-2H3,(H,25,26)/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99800995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).