N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide

C24H26N4O — CID 39173441

IUPACN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C24H26N4O/c29-24(23-12-6-7-13-25-23)26-18-20-8-4-5-9-21(20)19-27-14-16-28(17-15-27)22-10-2-1-3-11-22/h1-13H,14-19H2,(H,26,29)
InChIKeyXABCPUOZRVKVDI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.33
Rot. Bonds6

About N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide

N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 39173441) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID39173441
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C24H26N4O/c29-24(23-12-6-7-13-25-23)26-18-20-8-4-5-9-21(20)19-27-14-16-28(17-15-27)22-10-2-1-3-11-22/h1-13H,14-19H2,(H,26,29)
InChIKeyXABCPUOZRVKVDI-UHFFFAOYSA-N
XLogP3.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-(5-methylpyrazol-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 39172813
2-phenyl-5-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46434400
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39172108
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2-methylsulfanyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55691045
2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 39172415
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide (CID 39173441) is N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is XABCPUOZRVKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(23-12-6-7-13-25-23)26-18-20-8-4-5-9-21(20)19-27-14-16-28(17-15-27)22-10-2-1-3-11-22/h1-13H,14-19H2,(H,26,29).
What are the key properties of N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide?
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 39173441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).