N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide

C20H28N4O2 — CID 97361270

IUPACN-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCCCN(C)C)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H28N4O2/c1-22(2)11-7-10-21-20(25)18-14-17-19(24(18)12-13-26-4)15-8-5-6-9-16(15)23(17)3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25)
InChIKeyNXVBBZFDFFZKOI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.46
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide

N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361270) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361270
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCCCN(C)C)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H28N4O2/c1-22(2)11-7-10-21-20(25)18-14-17-19(24(18)12-13-26-4)15-8-5-6-9-16(15)23(17)3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25)
InChIKeyNXVBBZFDFFZKOI-UHFFFAOYSA-N
XLogP2.46
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441793
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361270) is N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide is COCCn1c(C(=O)NCCCN(C)C)cc2c1c1ccccc1n2C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is NXVBBZFDFFZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22(2)11-7-10-21-20(25)18-14-17-19(24(18)12-13-26-4)15-8-5-6-9-16(15)23(17)3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).