N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide

C23H21F2N5O — CID 146318385

IUPACN-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCc1nc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)ccc1C#N
InChIInChI=1S/C23H21F2N5O/c1-11(23(31)29-21-4-3-13(9-26)12(2)28-21)22-15-5-14(6-16(15)22)30-10-27-19-7-17(24)18(25)8-20(19)30/h3-4,7-8,10-11,14-16,22H,5-6H2,1-2H3,(H,28,29,31)/t11?,14?,15-,16+,22?
InChIKeyNMHXRJRKXCYECA-SRQLPOROSA-N
MW421.45 g/mol
LogP4.36
Rot. Bonds4

About N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide

N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 146318385) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound NameN-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID146318385
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC NameN-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCc1nc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)ccc1C#N
InChIInChI=1S/C23H21F2N5O/c1-11(23(31)29-21-4-3-13(9-26)12(2)28-21)22-15-5-14(6-16(15)22)30-10-27-19-7-17(24)18(25)8-20(19)30/h3-4,7-8,10-11,14-16,22H,5-6H2,1-2H3,(H,28,29,31)/t11?,14?,15-,16+,22?
InChIKeyNMHXRJRKXCYECA-SRQLPOROSA-N
XLogP4.36
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (CID 146318385) is N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is Cc1nc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)ccc1C#N.
What is the InChIKey of N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is NMHXRJRKXCYECA-SRQLPOROSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-11(23(31)29-21-4-3-13(9-26)12(2)28-21)22-15-5-14(6-16(15)22)30-10-27-19-7-17(24)18(25)8-20(19)30/h3-4,7-8,10-11,14-16,22H,5-6H2,1-2H3,(H,28,29,31)/t11?,14?,15-,16+,22?.
What are the key properties of N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 421.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-methyl-2-pyridinyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 146318385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).