2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide

C18H26N4O — CID 11141562

IUPAC2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)C(C)(C)C)nc23)CC1
InChIInChI=1S/C18H26N4O/c1-18(2,3)17(23)21-15-6-5-14-16(20-15)13(11-19-14)12-7-9-22(4)10-8-12/h5-6,11-12,19H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyYXYCGGPLERWVKQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.36
Rot. Bonds2

About 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide

2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide (PubChem CID 11141562) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide
PubChem CID11141562
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)C(C)(C)C)nc23)CC1
InChIInChI=1S/C18H26N4O/c1-18(2,3)17(23)21-15-6-5-14-16(20-15)13(11-19-14)12-7-9-22(4)10-8-12/h5-6,11-12,19H,7-10H2,1-4H3,(H,20,21,23)
InChIKeyYXYCGGPLERWVKQ-UHFFFAOYSA-N
XLogP3.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide (CID 11141562) is 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide is CN1CCC(c2c[nH]c3ccc(NC(=O)C(C)(C)C)nc23)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The InChIKey is YXYCGGPLERWVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-18(2,3)17(23)21-15-6-5-14-16(20-15)13(11-19-14)12-7-9-22(4)10-8-12/h5-6,11-12,19H,7-10H2,1-4H3,(H,20,21,23).
What are the key properties of 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide?
2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 11141562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).