4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide

C27H24N6O — CID 45275641

IUPAC4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESN#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4cccnc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C27H24N6O/c28-16-19-3-1-4-20(13-19)22-14-21-6-10-30-18-25(21)26(15-22)31-23-7-11-33(12-8-23)27(34)32-24-5-2-9-29-17-24/h1-6,9-10,13-15,17-18,23,31H,7-8,11-12H2,(H,32,34)
InChIKeyZHGPQSITRQPFEP-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.28
Rot. Bonds4

About 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide

4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 45275641) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID45275641
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESN#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4cccnc4)CC3)c3cnccc3c2)c1
InChIInChI=1S/C27H24N6O/c28-16-19-3-1-4-20(13-19)22-14-21-6-10-30-18-25(21)26(15-22)31-23-7-11-33(12-8-23)27(34)32-24-5-2-9-29-17-24/h1-6,9-10,13-15,17-18,23,31H,7-8,11-12H2,(H,32,34)
InChIKeyZHGPQSITRQPFEP-UHFFFAOYSA-N
XLogP5.28
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-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

3-[8-[[1-(3-cyanobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534932
3-[8-[[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535325
2-[4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]piperidin-1-yl]acetic acid
CID 67403874
3-[8-[[1-(3-fluorobenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535005
3-[8-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534806
3-[8-[[1-(morpholine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 45274242
3-[8-[[1-(1,2-dihydropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 70904083
3-[8-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 45274862
3-[8-[[1-(2,6-dimethylpyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535140
CID 89018635
CID 89018635
3-[8-[[1-(2-chloro-6-methylpyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 89018624
3-[8-[[1-[2-(6-fluoro-2-pyridinyl)acetyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59534940

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 45275641) is 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide is N#Cc1cccc(-c2cc(NC3CCN(C(=O)Nc4cccnc4)CC3)c3cnccc3c2)c1.
What is the InChIKey of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is ZHGPQSITRQPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c28-16-19-3-1-4-20(13-19)22-14-21-6-10-30-18-25(21)26(15-22)31-23-7-11-33(12-8-23)27(34)32-24-5-2-9-29-17-24/h1-6,9-10,13-15,17-18,23,31H,7-8,11-12H2,(H,32,34).
What are the key properties of 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 45275641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).