cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide

C22H22N4O2 — CID 67473935

IUPACcis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1
InChIInChI=1S/C22H22N4O2/c1-15-20(13-24-16(2)25-15)28-14-22(17-7-4-3-5-8-17)11-19(22)21(27)26-18-9-6-10-23-12-18/h3-10,12-13,19H,11,14H2,1-2H3,(H,26,27)/t19-,22+/m0/s1
InChIKeyTVYVZWIKIVBHHO-SIKLNZKXSA-N
MW374.44 g/mol
LogP3.46
Rot. Bonds6

About cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 67473935) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID67473935
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Namecis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1
InChIInChI=1S/C22H22N4O2/c1-15-20(13-24-16(2)25-15)28-14-22(17-7-4-3-5-8-17)11-19(22)21(27)26-18-9-6-10-23-12-18/h3-10,12-13,19H,11,14H2,1-2H3,(H,26,27)/t19-,22+/m0/s1
InChIKeyTVYVZWIKIVBHHO-SIKLNZKXSA-N
XLogP3.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide (CID 67473935) is cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1.
What is the InChIKey of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is TVYVZWIKIVBHHO-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-20(13-24-16(2)25-15)28-14-22(17-7-4-3-5-8-17)11-19(22)21(27)26-18-9-6-10-23-12-18/h3-10,12-13,19H,11,14H2,1-2H3,(H,26,27)/t19-,22+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 67473935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).