N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide

C30H31FN6O4S — CID 56651001

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C30H31FN6O4S/c31-25-6-8-27(9-7-25)42(40,41)37-17-15-36(16-18-37)30(39)24-5-10-28(33-20-24)29(38)34-26-11-13-35(14-12-26)21-23-3-1-22(19-32)2-4-23/h1-10,20,26H,11-18,21H2,(H,34,38)
InChIKeyMDZHPVWRGQFKCQ-UHFFFAOYSA-N
MW590.68 g/mol
LogP2.63
Rot. Bonds7

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56651001) has the molecular formula C30H31FN6O4S and a molecular weight of 590.68 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56651001
Molecular FormulaC30H31FN6O4S
Molecular Weight590.68 g/mol
Exact Mass590.21
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C30H31FN6O4S/c31-25-6-8-27(9-7-25)42(40,41)37-17-15-36(16-18-37)30(39)24-5-10-28(33-20-24)29(38)34-26-11-13-35(14-12-26)21-23-3-1-22(19-32)2-4-23/h1-10,20,26H,11-18,21H2,(H,34,38)
InChIKeyMDZHPVWRGQFKCQ-UHFFFAOYSA-N
XLogP2.63
TPSA126.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 46853801
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(fluoro(4-fluorophenyl)methyl) piperidine-1-carbonyl)picolinamide
CID 66710312
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzyl)-3,3-dimethylpiperazine-1-carbonyl)picolinamide
CID 66710341
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-benzenesulfonamide
CID 14960366
4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamido)methyl)-N-(cyclopropylmethyl)benzamide
CID 46891224
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)picolinamide
CID 56650667
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzoyl) piperazine-1-carbonyl)picolinamide
CID 56650668
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-pivaloylpiperazine-1-carbonyl)picolinamide
CID 56651004
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(phenylsulfonyl) piperazine-1-carbonyl)picolinamide
CID 56651005
N-(1-(4-cyanobenzoyl)piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 56652032
N-(1-(cyclohexanecarbonyl) piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 56652371
N-(1-(benzoyl)piperidin-4-yl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 56652372

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide (CID 56651001) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is MDZHPVWRGQFKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O4S/c31-25-6-8-27(9-7-25)42(40,41)37-17-15-36(16-18-37)30(39)24-5-10-28(33-20-24)29(38)34-26-11-13-35(14-12-26)21-23-3-1-22(19-32)2-4-23/h1-10,20,26H,11-18,21H2,(H,34,38).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 590.68 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56651001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).