N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide

C61H61N11O2 — CID 123782930

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(Nc4ccc(-c5cccc(-c6ccccc6CN6CCN(c7ccc(C(=O)NC8CCN(Cc9ccc(C#N)cc9)CC8)nc7)CC6)c5)cc4)cn3)CC2)cc1
InChIInChI=1S/C61H61N11O2/c62-37-44-8-12-46(13-9-44)41-69-28-24-53(25-29-69)67-60(73)58-22-20-55(39-64-58)66-52-18-16-48(17-19-52)49-5-3-6-50(36-49)57-7-2-1-4-51(57)43-71-32-34-72(35-33-71)56-21-23-59(65-40-56)61(74)68-54-26-30-70(31-27-54)42-47-14-10-45(38-63)11-15-47/h1-23,36,39-40,53-54,66H,24-35,41-43H2,(H,67,73)(H,68,74)
InChIKeyCICXOPAWDKZSJU-UHFFFAOYSA-N
MW980.23 g/mol
LogP9.41
Rot. Bonds15

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide (PubChem CID 123782930) has the molecular formula C61H61N11O2 and a molecular weight of 980.23 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide
PubChem CID123782930
Molecular FormulaC61H61N11O2
Molecular Weight980.23 g/mol
Exact Mass979.50
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(Nc4ccc(-c5cccc(-c6ccccc6CN6CCN(c7ccc(C(=O)NC8CCN(Cc9ccc(C#N)cc9)CC8)nc7)CC6)c5)cc4)cn3)CC2)cc1
InChIInChI=1S/C61H61N11O2/c62-37-44-8-12-46(13-9-44)41-69-28-24-53(25-29-69)67-60(73)58-22-20-55(39-64-58)66-52-18-16-48(17-19-52)49-5-3-6-50(36-49)57-7-2-1-4-51(57)43-71-32-34-72(35-33-71)56-21-23-59(65-40-56)61(74)68-54-26-30-70(31-27-54)42-47-14-10-45(38-63)11-15-47/h1-23,36,39-40,53-54,66H,24-35,41-43H2,(H,67,73)(H,68,74)
InChIKeyCICXOPAWDKZSJU-UHFFFAOYSA-N
XLogP9.41
TPSA156.55 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.23
LogP ≤ 59.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide with MolForge

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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
3-[[1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzonitrile
CID 16041481
5-(4-benzylpiperidine-1-carbonyl)-N-(1-(4-cyanobenzyl)piperidin-4-yl)picolinamide
CID 66710287
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[2-(4-fluorophenyl)propan-2-yl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710411
5-(4-(4-cyanobenzoyl) piperidine-1-carbonyl)-N-(1-(4-cyanobenzyl)piperidin-4-yl)picolinamide
CID 66710591
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-cyanobenzyl)piperidine-1-carbonyl)picolinamide
CID 66710600
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710745
4-[2-[6-[4-(3-Aminopropyl)piperazine-1-carbonyl]naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
CID 157464173
4-[[1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzonitrile
CID 44569919
2-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzonitrile
CID 44569920
5-(4-benzoylpiperazine-1-carbonyl)-N-(1-(4-cyanobenzyl)piperidin-4-yl)picolinamide
CID 56651003

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide (CID 123782930) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(Nc4ccc(-c5cccc(-c6ccccc6CN6CCN(c7ccc(C(=O)NC8CCN(Cc9ccc(C#N)cc9)CC8)nc7)CC6)c5)cc4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide?
The InChIKey is CICXOPAWDKZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H61N11O2/c62-37-44-8-12-46(13-9-44)41-69-28-24-53(25-29-69)67-60(73)58-22-20-55(39-64-58)66-52-18-16-48(17-19-52)49-5-3-6-50(36-49)57-7-2-1-4-51(57)43-71-32-34-72(35-33-71)56-21-23-59(65-40-56)61(74)68-54-26-30-70(31-27-54)42-47-14-10-45(38-63)11-15-47/h1-23,36,39-40,53-54,66H,24-35,41-43H2,(H,67,73)(H,68,74).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide has a molecular weight of 980.23 g/mol, XLogP of 9.41, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[3-[2-[[4-[6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]phenyl]phenyl]anilino]pyridine-2-carboxamide is sourced from PubChem (CID 123782930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).