2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C20H23ClN4O — CID 51321278

IUPAC2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)19-7-6-14(13-22-19)23-20(26)17-12-16(17)15-4-2-3-5-18(15)21/h2-7,13,16-17H,8-12H2,1H3,(H,23,26)
InChIKeyKAPOLFAWPJLOSG-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 51321278) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID51321278
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)19-7-6-14(13-22-19)23-20(26)17-12-16(17)15-4-2-3-5-18(15)21/h2-7,13,16-17H,8-12H2,1H3,(H,23,26)
InChIKeyKAPOLFAWPJLOSG-UHFFFAOYSA-N
XLogP3.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
3-[(2-chlorophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126632
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
5-hydroxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126777323
2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 55497102
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
2-(2-chlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51300234
1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 16613341

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 51321278) is 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is CN1CCN(c2ccc(NC(=O)C3CC3c3ccccc3Cl)cn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is KAPOLFAWPJLOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)19-7-6-14(13-22-19)23-20(26)17-12-16(17)15-4-2-3-5-18(15)21/h2-7,13,16-17H,8-12H2,1H3,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51321278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).