N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

C24H26N4O3 — CID 53180798

IUPACN-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCNC(c4ccccc4)C3)nc2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-19-9-10-20(22(14-19)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-21(16-28)17-6-4-3-5-7-17/h3-11,14-15,21,25H,12-13,16H2,1-2H3,(H,27,29)
InChIKeyIFHUKYSVEMIAPM-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.50
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180798) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180798
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCNC(c4ccccc4)C3)nc2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-19-9-10-20(22(14-19)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-21(16-28)17-6-4-3-5-7-17/h3-11,14-15,21,25H,12-13,16H2,1-2H3,(H,27,29)
InChIKeyIFHUKYSVEMIAPM-UHFFFAOYSA-N
XLogP3.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.50
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)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180798) is N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N3CCNC(c4ccccc4)C3)nc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is IFHUKYSVEMIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-19-9-10-20(22(14-19)31-2)27-24(29)18-8-11-23(26-15-18)28-13-12-25-21(16-28)17-6-4-3-5-7-17/h3-11,14-15,21,25H,12-13,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).