cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide

C23H24N4O3 — CID 67473925

IUPACcis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-15-20(13-25-16(2)26-15)30-14-23(17-7-5-4-6-8-17)12-19(23)22(28)27-21-11-18(29-3)9-10-24-21/h4-11,13,19H,12,14H2,1-3H3,(H,24,27,28)/t19-,23+/m0/s1
InChIKeyVXCZIRMMOSHOIR-WMZHIEFXSA-N
MW404.47 g/mol
LogP3.47
Rot. Bonds7

About cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 67473925) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID67473925
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namecis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-15-20(13-25-16(2)26-15)30-14-23(17-7-5-4-6-8-17)12-19(23)22(28)27-21-11-18(29-3)9-10-24-21/h4-11,13,19H,12,14H2,1-3H3,(H,24,27,28)/t19-,23+/m0/s1
InChIKeyVXCZIRMMOSHOIR-WMZHIEFXSA-N
XLogP3.47
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-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]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide (CID 67473925) is cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide is COc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1.
What is the InChIKey of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VXCZIRMMOSHOIR-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-20(13-25-16(2)26-15)30-14-23(17-7-5-4-6-8-17)12-19(23)22(28)27-21-11-18(29-3)9-10-24-21/h4-11,13,19H,12,14H2,1-3H3,(H,24,27,28)/t19-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 67473925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).