N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

C25H28N4O3 — CID 53180698

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(N3CCNC(c4ccccc4)C3)c2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-21-9-8-20(23(15-21)32-2)16-28-25(30)19-10-11-27-24(14-19)29-13-12-26-22(17-29)18-6-4-3-5-7-18/h3-11,14-15,22,26H,12-13,16-17H2,1-2H3,(H,28,30)
InChIKeyLFXKLSCUNOWEBE-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.18
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 53180698) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID53180698
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(N3CCNC(c4ccccc4)C3)c2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-21-9-8-20(23(15-21)32-2)16-28-25(30)19-10-11-27-24(14-19)29-13-12-26-22(17-29)18-6-4-3-5-7-18/h3-11,14-15,22,26H,12-13,16-17H2,1-2H3,(H,28,30)
InChIKeyLFXKLSCUNOWEBE-UHFFFAOYSA-N
XLogP3.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide (CID 53180698) is N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(N3CCNC(c4ccccc4)C3)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is LFXKLSCUNOWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-21-9-8-20(23(15-21)32-2)16-28-25(30)19-10-11-27-24(14-19)29-13-12-26-22(17-29)18-6-4-3-5-7-18/h3-11,14-15,22,26H,12-13,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 53180698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).