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

C20H23N5O2 — CID 109139237

IUPACN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-14-4-2-5-15(12-14)23-18(26)16-13-17(16)19(27)24-8-10-25(11-9-24)20-21-6-3-7-22-20/h2-7,12,16-17H,8-11,13H2,1H3,(H,23,26)
InChIKeyRMXSSJICWYKXSK-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.71
Rot. Bonds4

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

N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109139237) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109139237
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-14-4-2-5-15(12-14)23-18(26)16-13-17(16)19(27)24-8-10-25(11-9-24)20-21-6-3-7-22-20/h2-7,12,16-17H,8-11,13H2,1H3,(H,23,26)
InChIKeyRMXSSJICWYKXSK-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109139237) is N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is RMXSSJICWYKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-4-2-5-15(12-14)23-18(26)16-13-17(16)19(27)24-8-10-25(11-9-24)20-21-6-3-7-22-20/h2-7,12,16-17H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-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-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109139237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).