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

C15H20N4O — CID 10945589

IUPACN-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2[nH]cc(C3CCNCC3)c2n1
InChIInChI=1S/C15H20N4O/c1-2-14(20)18-13-4-3-12-15(19-13)11(9-17-12)10-5-7-16-8-6-10/h3-4,9-10,16-17H,2,5-8H2,1H3,(H,18,19,20)
InChIKeyWSXYJBWPQGSQLD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds3

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

N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide (PubChem CID 10945589) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide
PubChem CID10945589
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2[nH]cc(C3CCNCC3)c2n1
InChIInChI=1S/C15H20N4O/c1-2-14(20)18-13-4-3-12-15(19-13)11(9-17-12)10-5-7-16-8-6-10/h3-4,9-10,16-17H,2,5-8H2,1H3,(H,18,19,20)
InChIKeyWSXYJBWPQGSQLD-UHFFFAOYSA-N
XLogP2.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide (CID 10945589) is N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide is CCC(=O)Nc1ccc2[nH]cc(C3CCNCC3)c2n1.
What is the InChIKey of N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide?
The InChIKey is WSXYJBWPQGSQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-14(20)18-13-4-3-12-15(19-13)11(9-17-12)10-5-7-16-8-6-10/h3-4,9-10,16-17H,2,5-8H2,1H3,(H,18,19,20).
What are the key properties of N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide?
N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 10945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).