5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen

C24H28N4O2 — CID 143184167

IUPAC5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen
SMILESCCCn1c(-c2ccc3c(c2)CCN3C(=O)NCC)c(C#N)c2ccc(OC)cc21.[H][H]
InChIInChI=1S/C24H26N4O2.H2/c1-4-11-27-22-14-18(30-3)7-8-19(22)20(15-25)23(27)17-6-9-21-16(13-17)10-12-28(21)24(29)26-5-2;/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,26,29);1H
InChIKeyVYKBEGWVLAMYSA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.94
Rot. Bonds5

About 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen

5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen (PubChem CID 143184167) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen
PubChem CID143184167
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen
SMILESCCCn1c(-c2ccc3c(c2)CCN3C(=O)NCC)c(C#N)c2ccc(OC)cc21.[H][H]
InChIInChI=1S/C24H26N4O2.H2/c1-4-11-27-22-14-18(30-3)7-8-19(22)20(15-25)23(27)17-6-9-21-16(13-17)10-12-28(21)24(29)26-5-2;/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,26,29);1H
InChIKeyVYKBEGWVLAMYSA-UHFFFAOYSA-N
XLogP4.94
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 58694432
5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;2-(2,3-dihydro-1H-indol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate
CID 161360876
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
CID 58694205
1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea
CID 25049866
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
CID 122021374
2-[3-(butylaminosulfanylamino)phenyl]-6-methoxy-1-propylindole-3-carbonitrile
CID 143184363
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen?
The IUPAC name of 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen (CID 143184167) is 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen?
The canonical SMILES for 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen is CCCn1c(-c2ccc3c(c2)CCN3C(=O)NCC)c(C#N)c2ccc(OC)cc21.[H][H].
What is the InChIKey of 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen?
The InChIKey is VYKBEGWVLAMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.H2/c1-4-11-27-22-14-18(30-3)7-8-19(22)20(15-25)23(27)17-6-9-21-16(13-17)10-12-28(21)24(29)26-5-2;/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,26,29);1H.
What are the key properties of 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen?
5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen has a molecular weight of 404.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-6-methoxy-1-propylindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 143184167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).