benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

C24H25N3O2 — CID 100942961

IUPACbenzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCN1CCN(c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C24H25N3O2/c1-26-14-16-27(17-15-26)21-12-13-22(25-18-21)24(28)29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3
InChIKeyCBUKASLMPAHKBR-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.78
Rot. Bonds5

About benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (PubChem CID 100942961) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
PubChem CID100942961
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Namebenzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCN1CCN(c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C24H25N3O2/c1-26-14-16-27(17-15-26)21-12-13-22(25-18-21)24(28)29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3
InChIKeyCBUKASLMPAHKBR-UHFFFAOYSA-N
XLogP3.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586

Frequently Asked Questions

What is the IUPAC name of benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The IUPAC name of benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (CID 100942961) is benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is CN1CCN(c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)nc2)CC1.
What is the InChIKey of benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The InChIKey is CBUKASLMPAHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26-14-16-27(17-15-26)21-12-13-22(25-18-21)24(28)29-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3.
What are the key properties of benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 100942961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).