2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide

C26H27FN4O2 — CID 86964134

IUPAC2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
SMILESCc1cccc(N2CCC(NC(=O)c3cccc(C)c3NC(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C26H27FN4O2/c1-17-7-5-10-21(24(17)30-25(32)20-9-3-4-11-22(20)27)26(33)29-19-13-15-31(16-14-19)23-12-6-8-18(2)28-23/h3-12,19H,13-16H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyKFZKJDFPWHBYNH-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.49
Rot. Bonds5

About 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide

2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide (PubChem CID 86964134) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
PubChem CID86964134
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
SMILESCc1cccc(N2CCC(NC(=O)c3cccc(C)c3NC(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C26H27FN4O2/c1-17-7-5-10-21(24(17)30-25(32)20-9-3-4-11-22(20)27)26(33)29-19-13-15-31(16-14-19)23-12-6-8-18(2)28-23/h3-12,19H,13-16H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyKFZKJDFPWHBYNH-UHFFFAOYSA-N
XLogP4.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429147
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
CID 97319528
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 136511678
2-amino-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120800744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide (CID 86964134) is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide is Cc1cccc(N2CCC(NC(=O)c3cccc(C)c3NC(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide?
The InChIKey is KFZKJDFPWHBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-17-7-5-10-21(24(17)30-25(32)20-9-3-4-11-22(20)27)26(33)29-19-13-15-31(16-14-19)23-12-6-8-18(2)28-23/h3-12,19H,13-16H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide?
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 86964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).