N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide

C17H17N3O — CID 70715053

IUPACN-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCNC(=O)c1ccccc1-c1ccnc2c1ccn2C
InChIInChI=1S/C17H17N3O/c1-3-18-17(21)15-7-5-4-6-12(15)13-8-10-19-16-14(13)9-11-20(16)2/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyCKTCIXUCVXZLFK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.99
Rot. Bonds3

About N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide

N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 70715053) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID70715053
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCCNC(=O)c1ccccc1-c1ccnc2c1ccn2C
InChIInChI=1S/C17H17N3O/c1-3-18-17(21)15-7-5-4-6-12(15)13-8-10-19-16-14(13)9-11-20(16)2/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyCKTCIXUCVXZLFK-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-sulfanylphenyl)benzamide
CID 139949970
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 58897016
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 166387441
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
CID 83832708
[2-(ethylcarbamoyl)phenyl]boronic acid
CID 77231606
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
CID 56704912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 70715053) is N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide is CCNC(=O)c1ccccc1-c1ccnc2c1ccn2C.
What is the InChIKey of N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is CKTCIXUCVXZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-18-17(21)15-7-5-4-6-12(15)13-8-10-19-16-14(13)9-11-20(16)2/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide?
N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 70715053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).