N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C19H20N4O2 — CID 53494586

IUPACN-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2c(cc1Nc1ccc3c(C4CCNCC4)c[nH]c3n1)OCO2
InChIInChI=1S/C19H20N4O2/c1-3-16-17(25-11-24-16)9-13(1)22-18-4-2-14-15(10-21-19(14)23-18)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8,11H2,(H2,21,22,23)
InChIKeyTZKOXEFHJAIOAW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.50
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 53494586) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID53494586
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2c(cc1Nc1ccc3c(C4CCNCC4)c[nH]c3n1)OCO2
InChIInChI=1S/C19H20N4O2/c1-3-16-17(25-11-24-16)9-13(1)22-18-4-2-14-15(10-21-19(14)23-18)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8,11H2,(H2,21,22,23)
InChIKeyTZKOXEFHJAIOAW-UHFFFAOYSA-N
XLogP3.50
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
N-[3-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]acetamide
CID 53493121
N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
CID 80920460
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
CID 58512063
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112906443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
CID 58512480
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
2-N-(1,3-benzodioxol-5-yl)-4-N-(3-bromo-4-methylphenyl)pyrimidine-2,4-diamine
CID 112904503
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-bromo-3-methylphenyl)pyrimidine-2,4-diamine
CID 112906402
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 53494586) is N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc2c(cc1Nc1ccc3c(C4CCNCC4)c[nH]c3n1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is TZKOXEFHJAIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-16-17(25-11-24-16)9-13(1)22-18-4-2-14-15(10-21-19(14)23-18)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8,11H2,(H2,21,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 336.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 53494586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).