2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide

C25H26N4O2 — CID 70031677

IUPAC2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide
SMILESO=C(CCc1ccccc1)NC(=O)c1cccnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H26N4O2/c30-23(14-13-20-8-3-1-4-9-20)27-25(31)22-12-7-15-26-24(22)29-18-16-28(17-19-29)21-10-5-2-6-11-21/h1-12,15H,13-14,16-19H2,(H,27,30,31)
InChIKeyYRBIODRPGFTELY-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide

2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide (PubChem CID 70031677) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide
PubChem CID70031677
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide
SMILESO=C(CCc1ccccc1)NC(=O)c1cccnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H26N4O2/c30-23(14-13-20-8-3-1-4-9-20)27-25(31)22-12-7-15-26-24(22)29-18-16-28(17-19-29)21-10-5-2-6-11-21/h1-12,15H,13-14,16-19H2,(H,27,30,31)
InChIKeyYRBIODRPGFTELY-UHFFFAOYSA-N
XLogP3.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide
CID 70030700
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 70031352
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24693412
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397252
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide (CID 70031677) is 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide is O=C(CCc1ccccc1)NC(=O)c1cccnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide?
The InChIKey is YRBIODRPGFTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-23(14-13-20-8-3-1-4-9-20)27-25(31)22-12-7-15-26-24(22)29-18-16-28(17-19-29)21-10-5-2-6-11-21/h1-12,15H,13-14,16-19H2,(H,27,30,31).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide?
2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide is sourced from PubChem (CID 70031677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).