N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H19F2N5O2 — CID 109139282

IUPACN-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CC1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19F2N5O2/c20-15-3-2-12(10-16(15)21)24-17(27)13-11-14(13)18(28)25-6-8-26(9-7-25)19-22-4-1-5-23-19/h1-5,10,13-14H,6-9,11H2,(H,24,27)
InChIKeyOXJDFNYGRYEYNN-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.68
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109139282) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109139282
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CC1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19F2N5O2/c20-15-3-2-12(10-16(15)21)24-17(27)13-11-14(13)18(28)25-6-8-26(9-7-25)19-22-4-1-5-23-19/h1-5,10,13-14H,6-9,11H2,(H,24,27)
InChIKeyOXJDFNYGRYEYNN-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139237
N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139249
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138987
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139236
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 56724435
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
1-N-(3,4-difluorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137014
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109139282) is N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CC1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OXJDFNYGRYEYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-15-3-2-12(10-16(15)21)24-17(27)13-11-14(13)18(28)25-6-8-26(9-7-25)19-22-4-1-5-23-19/h1-5,10,13-14H,6-9,11H2,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109139282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).