N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide

C24H23N5O2 — CID 98076075

IUPACN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1)c1ccccn1
InChIInChI=1S/C24H23N5O2/c30-22(20-7-3-4-13-25-20)27-15-16-8-10-18(11-9-16)23-28-29-24(31-23)21-19-6-2-1-5-17(19)12-14-26-21/h1-7,12-14,16,18H,8-11,15H2,(H,27,30)
InChIKeyRAMVPDQSBMPFEM-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.38
Rot. Bonds5

About N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide

N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide (PubChem CID 98076075) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
PubChem CID98076075
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1)c1ccccn1
InChIInChI=1S/C24H23N5O2/c30-22(20-7-3-4-13-25-20)27-15-16-8-10-18(11-9-16)23-28-29-24(31-23)21-19-6-2-1-5-17(19)12-14-26-21/h1-7,12-14,16,18H,8-11,15H2,(H,27,30)
InChIKeyRAMVPDQSBMPFEM-UHFFFAOYSA-N
XLogP4.38
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]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-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98076083
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-phenylprop-2-enamide
CID 171147715
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 92576674
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
2-(2-chlorophenyl)-1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92576777
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 92576779
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 92560463

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide (CID 98076075) is N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide is O=C(NCC1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1)c1ccccn1.
What is the InChIKey of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
The InChIKey is RAMVPDQSBMPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-22(20-7-3-4-13-25-20)27-15-16-8-10-18(11-9-16)23-28-29-24(31-23)21-19-6-2-1-5-17(19)12-14-26-21/h1-7,12-14,16,18H,8-11,15H2,(H,27,30).
What are the key properties of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide?
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 98076075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).