N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C20H23N5O2 — CID 109139236

IUPACN-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c1-14-5-2-3-6-17(14)23-18(26)15-13-16(15)19(27)24-9-11-25(12-10-24)20-21-7-4-8-22-20/h2-8,15-16H,9-13H2,1H3,(H,23,26)
InChIKeyXKQMUONRYOJQKS-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.71
Rot. Bonds4

About N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109139236) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109139236
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c1-14-5-2-3-6-17(14)23-18(26)15-13-16(15)19(27)24-9-11-25(12-10-24)20-21-7-4-8-22-20/h2-8,15-16H,9-13H2,1H3,(H,23,26)
InChIKeyXKQMUONRYOJQKS-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
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
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139282
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
N-(3-chloro-2-methylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138436
N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136547
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109139236) is N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is XKQMUONRYOJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-5-2-3-6-17(14)23-18(26)15-13-16(15)19(27)24-9-11-25(12-10-24)20-21-7-4-8-22-20/h2-8,15-16H,9-13H2,1H3,(H,23,26).
What are the key properties of N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109139236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).