2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

C26H31F3N4O2 — CID 138628971

IUPAC2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(C34CC3CN(CCC(F)(F)F)C4)cc2)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C26H31F3N4O2/c27-26(28,29)9-10-33-14-19-12-25(19,15-33)18-3-1-16(2-4-18)17-11-22(23(30)31-13-17)24(35)32-20-5-7-21(34)8-6-20/h1-4,11,13,19-21,34H,5-10,12,14-15H2,(H2,30,31)(H,32,35)
InChIKeyDONRBWYKHKBNAQ-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.89
Rot. Bonds6

About 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 138628971) has the molecular formula C26H31F3N4O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID138628971
Molecular FormulaC26H31F3N4O2
Molecular Weight488.55 g/mol
Exact Mass488.24
IUPAC Name2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(C34CC3CN(CCC(F)(F)F)C4)cc2)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C26H31F3N4O2/c27-26(28,29)9-10-33-14-19-12-25(19,15-33)18-3-1-16(2-4-18)17-11-22(23(30)31-13-17)24(35)32-20-5-7-21(34)8-6-20/h1-4,11,13,19-21,34H,5-10,12,14-15H2,(H2,30,31)(H,32,35)
InChIKeyDONRBWYKHKBNAQ-UHFFFAOYSA-N
XLogP3.89
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-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

2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 138628942
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134203046
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628954
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3-methyloxiran-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 172689518
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(1-methylsulfonylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134202950
2-amino-5-[4-[(1R)-3-(1,3-difluoropropan-2-yl)-3-azabicyclo[3.1.0]hex-5-en-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 174338363
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(3R,4S)-1-(2-methoxyethyl)-4-methylpyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 155136660
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052
2-(4-hydroxycyclohexyl)-5-[4-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 156688384
2-amino-5-[4-[(1R,5S)-3-(2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptan-1-yl]phenyl]-N-(4-hydroxycyclohexylidene)pyridine-3-carboxamide
CID 145445448
2-amino-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5-[4-[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (CID 138628971) is 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is Nc1ncc(-c2ccc(C34CC3CN(CCC(F)(F)F)C4)cc2)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is DONRBWYKHKBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O2/c27-26(28,29)9-10-33-14-19-12-25(19,15-33)18-3-1-16(2-4-18)17-11-22(23(30)31-13-17)24(35)32-20-5-7-21(34)8-6-20/h1-4,11,13,19-21,34H,5-10,12,14-15H2,(H2,30,31)(H,32,35).
What are the key properties of 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 138628971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).