4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide

C20H31N3O — CID 19370393

IUPAC4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
SMILESCCCN(CCC)C1Cc2c(C(=O)N(C)C)ccc3c2C(CN3)C1
InChIInChI=1S/C20H31N3O/c1-5-9-23(10-6-2)15-11-14-13-21-18-8-7-16(20(24)22(3)4)17(12-15)19(14)18/h7-8,14-15,21H,5-6,9-13H2,1-4H3
InChIKeyJALIAGVCLBDICD-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.33
Rot. Bonds6

About 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide

4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide (PubChem CID 19370393) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide.

Molecular Properties

Compound Name4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
PubChem CID19370393
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
SMILESCCCN(CCC)C1Cc2c(C(=O)N(C)C)ccc3c2C(CN3)C1
InChIInChI=1S/C20H31N3O/c1-5-9-23(10-6-2)15-11-14-13-21-18-8-7-16(20(24)22(3)4)17(12-15)19(14)18/h7-8,14-15,21H,5-6,9-13H2,1-4H3
InChIKeyJALIAGVCLBDICD-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-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

1-[(2aR,4R)-4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone
CID 18652839
4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370400
1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19096260
6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19069120
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956170
(2aS,4R)-N,N-dipropyl-6-pyrazin-2-yl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 70341667
[(2aR,4R)-4-(dipropylamino)-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]-phenylmethanone
CID 15712475
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 66214520
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The IUPAC name of 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide (CID 19370393) is 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide.
What is the SMILES notation for 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The canonical SMILES for 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide is CCCN(CCC)C1Cc2c(C(=O)N(C)C)ccc3c2C(CN3)C1.
What is the InChIKey of 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The InChIKey is JALIAGVCLBDICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-9-23(10-6-2)15-11-14-13-21-18-8-7-16(20(24)22(3)4)17(12-15)19(14)18/h7-8,14-15,21H,5-6,9-13H2,1-4H3.
What are the key properties of 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide is sourced from PubChem (CID 19370393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).