3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide

C17H16N4O — CID 54290331

IUPAC3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCn1ccc2c3c(ccc21)N(C(=O)Nc1ccncc1)CC3
InChIInChI=1S/C17H16N4O/c1-20-10-6-13-14-7-11-21(16(14)3-2-15(13)20)17(22)19-12-4-8-18-9-5-12/h2-6,8-10H,7,11H2,1H3,(H,18,19,22)
InChIKeyRXBFFHSMIUPBSJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.17
Rot. Bonds1

About 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide

3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 54290331) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
PubChem CID54290331
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCn1ccc2c3c(ccc21)N(C(=O)Nc1ccncc1)CC3
InChIInChI=1S/C17H16N4O/c1-20-10-6-13-14-7-11-21(16(14)3-2-15(13)20)17(22)19-12-4-8-18-9-5-12/h2-6,8-10H,7,11H2,1H3,(H,18,19,22)
InChIKeyRXBFFHSMIUPBSJ-UHFFFAOYSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
CID 54207717
2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
CID 54564636
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide;1,2-dimethyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;1-ethyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide;3-methyl-N-pyridin-3-yl-8,9-dihydro-7H-pyrrolo[3,2-f]quinoline-6-carboxamide;1-methyl-N-pyridin-3-yl-7,8-dihydro-6H-pyrrolo[2,3-g]quinoline-5-carboxamide;1-methyl-N-pyridin-3-yl-2,3,6,7-tetrahydropyrrolo[2,3-f]indole-5-carboxamide;1-propyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 173348494
4,6-dichloro-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10567817
N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 139820772
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 56823906
1-methylpyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 137347030
2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The IUPAC name of 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (CID 54290331) is 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.
What is the SMILES notation for 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The canonical SMILES for 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is Cn1ccc2c3c(ccc21)N(C(=O)Nc1ccncc1)CC3.
What is the InChIKey of 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The InChIKey is RXBFFHSMIUPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20-10-6-13-14-7-11-21(16(14)3-2-15(13)20)17(22)19-12-4-8-18-9-5-12/h2-6,8-10H,7,11H2,1H3,(H,18,19,22).
What are the key properties of 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is sourced from PubChem (CID 54290331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).