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

C18H18N4O — CID 54564636

IUPAC2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCc1cc2c3c(ccc2n1C)N(C(=O)Nc1cccnc1)CC3
InChIInChI=1S/C18H18N4O/c1-12-10-15-14-7-9-22(17(14)6-5-16(15)21(12)2)18(23)20-13-4-3-8-19-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23)
InChIKeyZSYIGWOSJXPYML-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds1

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

2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 54564636) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
PubChem CID54564636
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCc1cc2c3c(ccc2n1C)N(C(=O)Nc1cccnc1)CC3
InChIInChI=1S/C18H18N4O/c1-12-10-15-14-7-9-22(17(14)6-5-16(15)21(12)2)18(23)20-13-4-3-8-19-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23)
InChIKeyZSYIGWOSJXPYML-UHFFFAOYSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
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

4,6-dichloro-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10567817
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
3-methyl-N-pyridin-4-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
CID 54290331
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
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
6-chloro-5-ethenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 18940889
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
CID 11957462
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10714852
2-[(3,5-dichlorophenyl)sulfanyl-[1-(pyridin-3-ylcarbamoyl)-2,3-dihydroindol-5-yl]amino]acetic acid
CID 88860037

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (CID 54564636) is 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is Cc1cc2c3c(ccc2n1C)N(C(=O)Nc1cccnc1)CC3.
What is the InChIKey of 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The InChIKey is ZSYIGWOSJXPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-10-15-14-7-9-22(17(14)6-5-16(15)21(12)2)18(23)20-13-4-3-8-19-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23).
What are the key properties of 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-pyridin-3-yl-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is sourced from PubChem (CID 54564636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).