N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide

C25H26N4O3 — CID 46041984

IUPACN-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C25H26N4O3/c1-18-7-9-19(10-8-18)24(30)27-20-11-12-23(26-17-20)28-13-15-29(16-14-28)25(31)21-5-3-4-6-22(21)32-2/h3-12,17H,13-16H2,1-2H3,(H,27,30)
InChIKeyVKSBBTLPHJYRIA-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.61
Rot. Bonds5

About N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide

N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide (PubChem CID 46041984) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
PubChem CID46041984
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C25H26N4O3/c1-18-7-9-19(10-8-18)24(30)27-20-11-12-23(26-17-20)28-13-15-29(16-14-28)25(31)21-5-3-4-6-22(21)32-2/h3-12,17H,13-16H2,1-2H3,(H,27,30)
InChIKeyVKSBBTLPHJYRIA-UHFFFAOYSA-N
XLogP3.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
1-(3-fluoro-4-methylphenyl)-3-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053513
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
CID 46084352
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 170855567
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42850069

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide (CID 46041984) is N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide is COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1.
What is the InChIKey of N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is VKSBBTLPHJYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-7-9-19(10-8-18)24(30)27-20-11-12-23(26-17-20)28-13-15-29(16-14-28)25(31)21-5-3-4-6-22(21)32-2/h3-12,17H,13-16H2,1-2H3,(H,27,30).
What are the key properties of N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide?
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 46041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).