N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide

C16H22N4O — CID 11630642

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2[nH][14cH]c(C3CCN(C)CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)/i10+2
InChIKeyORJIHHLJBCQRBS-HRVHXUPCSA-N
MW288.37 g/mol
LogP2.72
Rot. Bonds3

About N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide

N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide (PubChem CID 11630642) has the molecular formula C16H22N4O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide
PubChem CID11630642
Molecular FormulaC16H22N4O
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2[nH][14cH]c(C3CCN(C)CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)/i10+2
InChIKeyORJIHHLJBCQRBS-HRVHXUPCSA-N
XLogP2.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.72
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-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide (CID 11630642) is N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide is CCC(=O)Nc1ccc2[nH][14cH]c(C3CCN(C)CC3)c2n1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide?
The InChIKey is ORJIHHLJBCQRBS-HRVHXUPCSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)/i10+2.
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide?
N-[3-(1-methylpiperidin-4-yl)-1H-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide has a molecular weight of 288.37 g/mol, XLogP of 2.72, 3 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-(514C)pyrrolo[3,2-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 11630642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).