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

C25H24Cl2N4O2 — CID 1055057

IUPAC5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H24Cl2N4O2/c26-19-11-18(12-20(27)13-19)24(32)30-21-6-7-23(31-9-2-1-3-10-31)22(14-21)25(33)29-16-17-5-4-8-28-15-17/h4-8,11-15H,1-3,9-10,16H2,(H,29,33)(H,30,32)
InChIKeyKOPKBWNHBJNSNA-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.56
Rot. Bonds6

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

5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1055057) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1055057
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H24Cl2N4O2/c26-19-11-18(12-20(27)13-19)24(32)30-21-6-7-23(31-9-2-1-3-10-31)22(14-21)25(33)29-16-17-5-4-8-28-15-17/h4-8,11-15H,1-3,9-10,16H2,(H,29,33)(H,30,32)
InChIKeyKOPKBWNHBJNSNA-UHFFFAOYSA-N
XLogP5.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.56
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

2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 42756386
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055044
5-[(3-nitrobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055034
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
4-methyl-3-nitro-N-[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1055047
5-(3,3-dimethylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 42756056
5-(hexanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 3565493
5-[(2,3-dimethylphenyl)carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1065226
5-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42756268
N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 1065660
5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 1054188

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide (CID 1055057) is 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2cccnc2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KOPKBWNHBJNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c26-19-11-18(12-20(27)13-19)24(32)30-21-6-7-23(31-9-2-1-3-10-31)22(14-21)25(33)29-16-17-5-4-8-28-15-17/h4-8,11-15H,1-3,9-10,16H2,(H,29,33)(H,30,32).
What are the key properties of 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 483.40 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1055057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).