4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C11H13N3O2 — CID 121267960

IUPAC4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCOc1c(C(=O)NC)cnc2[nH]ccc12
InChIInChI=1S/C11H13N3O2/c1-3-16-9-7-4-5-13-10(7)14-6-8(9)11(15)12-2/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyAVXOZIQZOCCPGE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.32
Rot. Bonds3

About 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 121267960) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID121267960
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCOc1c(C(=O)NC)cnc2[nH]ccc12
InChIInChI=1S/C11H13N3O2/c1-3-16-9-7-4-5-13-10(7)14-6-8(9)11(15)12-2/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyAVXOZIQZOCCPGE-UHFFFAOYSA-N
XLogP1.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126970622
N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162513592
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753460
4-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757135
N-methyl-4-[[(2R,4R)-2-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167167182
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
4-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757112
methyl 4-tri(propan-2-yl)silyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 69408707
4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818371
4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278444

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 121267960) is 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCOc1c(C(=O)NC)cnc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is AVXOZIQZOCCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-9-7-4-5-13-10(7)14-6-8(9)11(15)12-2/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 121267960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).