3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

C25H25FN4O2 — CID 78878150

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-17-9-10-18(15-22(17)28-25(32)20-7-3-4-8-21(20)26)24(31)29-23-12-11-19(16-27-23)30-13-5-2-6-14-30/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyITTUQQZHBPOVKO-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.02
Rot. Bonds5

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (PubChem CID 78878150) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
PubChem CID78878150
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c1-17-9-10-18(15-22(17)28-25(32)20-7-3-4-8-21(20)26)24(31)29-23-12-11-19(16-27-23)30-13-5-2-6-14-30/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyITTUQQZHBPOVKO-UHFFFAOYSA-N
XLogP5.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (CID 78878150) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The InChIKey is ITTUQQZHBPOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-9-10-18(15-22(17)28-25(32)20-7-3-4-8-21(20)26)24(31)29-23-12-11-19(16-27-23)30-13-5-2-6-14-30/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,32)(H,27,29,31).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide has a molecular weight of 432.50 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 78878150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).