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

C22H20ClFN4O2 — CID 67473954

IUPACN-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(Cl)cn2)c(C)n1
InChIInChI=1S/C22H20ClFN4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-17(24)8-15)9-18(22)21(29)28-20-7-6-16(23)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)
InChIKeyMSVAQUAJKAQGOW-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.26
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 67473954) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID67473954
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(Cl)cn2)c(C)n1
InChIInChI=1S/C22H20ClFN4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-17(24)8-15)9-18(22)21(29)28-20-7-6-16(23)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)
InChIKeyMSVAQUAJKAQGOW-UHFFFAOYSA-N
XLogP4.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 67473954) is N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is Cc1ncc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(Cl)cn2)c(C)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MSVAQUAJKAQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-17(24)8-15)9-18(22)21(29)28-20-7-6-16(23)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67473954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).