N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide

C19H21N3O2 — CID 53144995

IUPACN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
SMILESCCn1cc(CCNC(=O)c2ccc(OC)cc2)c2cccnc21
InChIInChI=1S/C19H21N3O2/c1-3-22-13-15(17-5-4-11-20-18(17)22)10-12-21-19(23)14-6-8-16(24-2)9-7-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyMJYOEWLEOJMWGY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds6

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

N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide (PubChem CID 53144995) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
PubChem CID53144995
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
SMILESCCn1cc(CCNC(=O)c2ccc(OC)cc2)c2cccnc21
InChIInChI=1S/C19H21N3O2/c1-3-22-13-15(17-5-4-11-20-18(17)22)10-12-21-19(23)14-6-8-16(24-2)9-7-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyMJYOEWLEOJMWGY-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
CID 53144971
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methylphenyl)urea
CID 53144570
6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
CID 53145168
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
1-(2-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144645
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide (CID 53144995) is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide is CCn1cc(CCNC(=O)c2ccc(OC)cc2)c2cccnc21.
What is the InChIKey of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide?
The InChIKey is MJYOEWLEOJMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22-13-15(17-5-4-11-20-18(17)22)10-12-21-19(23)14-6-8-16(24-2)9-7-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide?
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 53144995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).