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

C20H23ClN4O — CID 37049250

IUPAC1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cn2)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-9-11-25(12-10-24)18-6-5-17(14-22-18)23-19(26)20(7-8-20)15-3-2-4-16(21)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyGMKDFXPYMSKOOV-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.16
Rot. Bonds4

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

1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 37049250) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID37049250
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cn2)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-9-11-25(12-10-24)18-6-5-17(14-22-18)23-19(26)20(7-8-20)15-3-2-4-16(21)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyGMKDFXPYMSKOOV-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(6-imidazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 39406638
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
N-[3-[(Z)-N-aminocarbamohydrazonoyl]-4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 142382236
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 37049250) is 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is CN1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cn2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is GMKDFXPYMSKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-24-9-11-25(12-10-24)18-6-5-17(14-22-18)23-19(26)20(7-8-20)15-3-2-4-16(21)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,26).
What are the key properties of 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 37049250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).