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

C20H22N4O — CID 69451339

IUPAC4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC1(CCc2ccc(C(=O)Nc3ccnc4[nH]ccc34)cc2)CCC1
InChIInChI=1S/C20H22N4O/c21-20(9-1-10-20)11-6-14-2-4-15(5-3-14)19(25)24-17-8-13-23-18-16(17)7-12-22-18/h2-5,7-8,12-13H,1,6,9-11,21H2,(H2,22,23,24,25)
InChIKeyRZZGLZFZZYYVCO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.63
Rot. Bonds5

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

4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 69451339) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID69451339
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC1(CCc2ccc(C(=O)Nc3ccnc4[nH]ccc34)cc2)CCC1
InChIInChI=1S/C20H22N4O/c21-20(9-1-10-20)11-6-14-2-4-15(5-3-14)19(25)24-17-8-13-23-18-16(17)7-12-22-18/h2-5,7-8,12-13H,1,6,9-11,21H2,(H2,22,23,24,25)
InChIKeyRZZGLZFZZYYVCO-UHFFFAOYSA-N
XLogP3.63
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 69451339) is 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is NC1(CCc2ccc(C(=O)Nc3ccnc4[nH]ccc34)cc2)CCC1.
What is the InChIKey of 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is RZZGLZFZZYYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20(9-1-10-20)11-6-14-2-4-15(5-3-14)19(25)24-17-8-13-23-18-16(17)7-12-22-18/h2-5,7-8,12-13H,1,6,9-11,21H2,(H2,22,23,24,25).
What are the key properties of 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclobutyl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 69451339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).