N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine

C14H23N5 — CID 175853527

IUPACN-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine
SMILESCNCc1nc(N2CCN(C)CC2)cc2c1CNC2
InChIInChI=1S/C14H23N5/c1-15-10-13-12-9-16-8-11(12)7-14(17-13)19-5-3-18(2)4-6-19/h7,15-16H,3-6,8-10H2,1-2H3
InChIKeyZBTNVWQHANFGIE-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.16
Rot. Bonds3

About N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine

N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine (PubChem CID 175853527) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine
PubChem CID175853527
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine
SMILESCNCc1nc(N2CCN(C)CC2)cc2c1CNC2
InChIInChI=1S/C14H23N5/c1-15-10-13-12-9-16-8-11(12)7-14(17-13)19-5-3-18(2)4-6-19/h7,15-16H,3-6,8-10H2,1-2H3
InChIKeyZBTNVWQHANFGIE-UHFFFAOYSA-N
XLogP0.16
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine (CID 175853527) is N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine is CNCc1nc(N2CCN(C)CC2)cc2c1CNC2.
What is the InChIKey of N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine?
The InChIKey is ZBTNVWQHANFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-15-10-13-12-9-16-8-11(12)7-14(17-13)19-5-3-18(2)4-6-19/h7,15-16H,3-6,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine?
N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine is sourced from PubChem (CID 175853527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).