ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate

C13H17N3O2 — CID 166475904

IUPACethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(N(C)C)c2n1C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)10-8-9-6-7-14-12(15(2)3)11(9)16(10)4/h6-8H,5H2,1-4H3
InChIKeyUHNVXVPZHMYGSQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.82
Rot. Bonds3

About ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 166475904) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID166475904
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nameethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(N(C)C)c2n1C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)10-8-9-6-7-14-12(15(2)3)11(9)16(10)4/h6-8H,5H2,1-4H3
InChIKeyUHNVXVPZHMYGSQ-UHFFFAOYSA-N
XLogP1.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6,7-dichloro-1-methylindole-2-carboxylate
CID 56945983
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 122129786
ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate
CID 21194412
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
CID 14049154
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 9-(dimethylamino)-4-oxopyrazino[1,2-a]pyrimidine-2-carboxylate
CID 23127689
ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 171835145
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
CID 19374234
ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
CID 131624320

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate (CID 166475904) is ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2ccnc(N(C)C)c2n1C.
What is the InChIKey of ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is UHNVXVPZHMYGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-18-13(17)10-8-9-6-7-14-12(15(2)3)11(9)16(10)4/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 166475904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).