5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

C25H25FN4O2 — CID 1055044

IUPAC5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c26-22-9-3-2-8-20(22)25(32)29-19-10-11-23(30-13-4-1-5-14-30)21(15-19)24(31)28-17-18-7-6-12-27-16-18/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)(H,29,32)
InChIKeyRGTYGNPDQASQQK-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.39
Rot. Bonds6

About 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide

5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1055044) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1055044
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1ccccc1F
InChIInChI=1S/C25H25FN4O2/c26-22-9-3-2-8-20(22)25(32)29-19-10-11-23(30-13-4-1-5-14-30)21(15-19)24(31)28-17-18-7-6-12-27-16-18/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)(H,29,32)
InChIKeyRGTYGNPDQASQQK-UHFFFAOYSA-N
XLogP4.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 42756386
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055057
N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 1065660
5-(3,3-dimethylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 42756056
5-[(3-nitrobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055034
5-(hexanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 3565493
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42756268
5-[(2,3-dimethylphenyl)carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1065226
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
4-methyl-3-nitro-N-[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1055047

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (CID 1055044) is 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RGTYGNPDQASQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-22-9-3-2-8-20(22)25(32)29-19-10-11-23(30-13-4-1-5-14-30)21(15-19)24(31)28-17-18-7-6-12-27-16-18/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)(H,29,32).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 432.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1055044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).