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

C17H24N4O — CID 11044798

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)
InChIKeyJJDBTUIYFOHXHH-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.11
Rot. Bonds4

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

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide (PubChem CID 11044798) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide
PubChem CID11044798
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)
InChIKeyJJDBTUIYFOHXHH-UHFFFAOYSA-N
XLogP3.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.11
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]butanamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide (CID 11044798) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is JJDBTUIYFOHXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]butanamide has a molecular weight of 300.41 g/mol, XLogP of 3.11, 4 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]butanamide is sourced from PubChem (CID 11044798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).