N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide

C20H27N3O — CID 97441936

IUPACN-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C20H27N3O/c1-6-12-22(7-2)20(24)18-13-17-19(21(18)5)15-10-8-9-11-16(15)23(17)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3
InChIKeyAMFWWCUSXWHXFB-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.59
Rot. Bonds5

About N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide

N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441936) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441936
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C20H27N3O/c1-6-12-22(7-2)20(24)18-13-17-19(21(18)5)15-10-8-9-11-16(15)23(17)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3
InChIKeyAMFWWCUSXWHXFB-UHFFFAOYSA-N
XLogP4.59
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441932
N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865251
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 134075238
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361470
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441936) is N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide is CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C.
What is the InChIKey of N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is AMFWWCUSXWHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-12-22(7-2)20(24)18-13-17-19(21(18)5)15-10-8-9-11-16(15)23(17)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide?
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).