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

C20H22N4O — CID 91193641

IUPAC4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(CC1CCC1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H22N4O/c21-17(12-13-2-1-3-13)14-4-6-15(7-5-14)20(25)24-18-9-11-23-19-16(18)8-10-22-19/h4-11,13,17H,1-3,12,21H2,(H2,22,23,24,25)
InChIKeyPSQUPILUFFMVEZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.01
Rot. Bonds5

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

4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 91193641) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID91193641
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(CC1CCC1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H22N4O/c21-17(12-13-2-1-3-13)14-4-6-15(7-5-14)20(25)24-18-9-11-23-19-16(18)8-10-22-19/h4-11,13,17H,1-3,12,21H2,(H2,22,23,24,25)
InChIKeyPSQUPILUFFMVEZ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 91193641) is 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is NC(CC1CCC1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is PSQUPILUFFMVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-17(12-13-2-1-3-13)14-4-6-15(7-5-14)20(25)24-18-9-11-23-19-16(18)8-10-22-19/h4-11,13,17H,1-3,12,21H2,(H2,22,23,24,25).
What are the key properties of 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 91193641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).