2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide

C23H20ClN5O2 — CID 67473979

IUPAC2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cccc(Cl)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H20ClN5O2/c1-14-20(12-26-15(2)28-14)31-13-23(17-4-3-5-18(24)8-17)9-19(23)22(30)29-21-7-6-16(10-25)11-27-21/h3-8,11-12,19H,9,13H2,1-2H3,(H,27,29,30)
InChIKeyVBBOCDFZXPZLQE-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.99
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide (PubChem CID 67473979) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
PubChem CID67473979
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cccc(Cl)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H20ClN5O2/c1-14-20(12-26-15(2)28-14)31-13-23(17-4-3-5-18(24)8-17)9-19(23)22(30)29-21-7-6-16(10-25)11-27-21/h3-8,11-12,19H,9,13H2,1-2H3,(H,27,29,30)
InChIKeyVBBOCDFZXPZLQE-UHFFFAOYSA-N
XLogP3.99
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Lemborexant
CID 56944144
(1R,2S)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)-2-phenylcyclopropanecarboxamide
CID 56944522
(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)cyclopropanecarboxamide
CID 56944620
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluoro-4-methoxyphenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide
CID 56943752
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoro-4-methylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropanecarboxamide
CID 56944043
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoropyridin-2-yl)-2-phenylcyclopropanecarboxamide
CID 56944044
(1R,2S)-N-(5-chloropyridin-2-yl)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-phenylcyclopropanecarboxamide
CID 56944045
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoro-4-methoxypyridin-2-yl)-2-(3-fluorophenyl)cyclopropanecarboxamide
CID 56944143
(1R,2S)-N-(5-cyanopyridin-2-yl)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropanecarboxamide
CID 56944244
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(4-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide
CID 56944245
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(4-ethyl-2-methylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 56944337
(1R,2S)-2-(3,5-difluorophenyl)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide
CID 56944429

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide (CID 67473979) is 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide is Cc1ncc(OCC2(c3cccc(Cl)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide?
The InChIKey is VBBOCDFZXPZLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14-20(12-26-15(2)28-14)31-13-23(17-4-3-5-18(24)8-17)9-19(23)22(30)29-21-7-6-16(10-25)11-27-21/h3-8,11-12,19H,9,13H2,1-2H3,(H,27,29,30).
What are the key properties of 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-cyano-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67473979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).