cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide

C15H15N3O2 — CID 94096800

IUPACcis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C15H15N3O2/c1-10-8-13(10)14(19)18-11-4-2-5-12(9-11)20-15-16-6-3-7-17-15/h2-7,9-10,13H,8H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyHFIHURNCAATFIA-MFKMUULPSA-N
MW269.30 g/mol
LogP2.86
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 94096800) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID94096800
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namecis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C15H15N3O2/c1-10-8-13(10)14(19)18-11-4-2-5-12(9-11)20-15-16-6-3-7-17-15/h2-7,9-10,13H,8H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyHFIHURNCAATFIA-MFKMUULPSA-N
XLogP2.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
(3aR,7aS)-N-(3-pyrimidin-2-yloxyphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 97318645
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 94096800) is cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ncccn2)c1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HFIHURNCAATFIA-MFKMUULPSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-13(10)14(19)18-11-4-2-5-12(9-11)20-15-16-6-3-7-17-15/h2-7,9-10,13H,8H2,1H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94096800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).