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

C18H26N4O — CID 10925076

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C18H26N4O/c1-3-4-5-17(23)20-16-7-6-15-18(21-16)14(12-19-15)13-8-10-22(2)11-9-13/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,21,23)
InChIKeyYYWSIECGFQGNKL-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.50
Rot. Bonds5

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

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide (PubChem CID 10925076) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
PubChem CID10925076
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C18H26N4O/c1-3-4-5-17(23)20-16-7-6-15-18(21-16)14(12-19-15)13-8-10-22(2)11-9-13/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,21,23)
InChIKeyYYWSIECGFQGNKL-UHFFFAOYSA-N
XLogP3.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide (CID 10925076) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide is CCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide?
The InChIKey is YYWSIECGFQGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-4-5-17(23)20-16-7-6-15-18(21-16)14(12-19-15)13-8-10-22(2)11-9-13/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide has a molecular weight of 314.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide is sourced from PubChem (CID 10925076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).