2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide

C24H26N4O2 — CID 139582022

IUPAC2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O
InChIInChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
InChIKeyGFEAXKZXFORDDU-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.24
Rot. Bonds5

About 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide

2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide (PubChem CID 139582022) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
PubChem CID139582022
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O
InChIInChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
InChIKeyGFEAXKZXFORDDU-UHFFFAOYSA-N
XLogP3.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CID 155548898

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide (CID 139582022) is 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide is COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The InChIKey is GFEAXKZXFORDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29).
What are the key properties of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 139582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).