1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine

C20H26N4 — CID 162725351

IUPAC1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccncc2N2CC3CNC(C3)C2)cc1C
InChIInChI=1S/C20H26N4/c1-14-7-16(3-4-17(14)10-21-2)19-5-6-22-11-20(19)24-12-15-8-18(13-24)23-9-15/h3-7,11,15,18,21,23H,8-10,12-13H2,1-2H3
InChIKeyQZRXEIOXZBEGSJ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine

1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine (PubChem CID 162725351) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine
PubChem CID162725351
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccncc2N2CC3CNC(C3)C2)cc1C
InChIInChI=1S/C20H26N4/c1-14-7-16(3-4-17(14)10-21-2)19-5-6-22-11-20(19)24-12-15-8-18(13-24)23-9-15/h3-7,11,15,18,21,23H,8-10,12-13H2,1-2H3
InChIKeyQZRXEIOXZBEGSJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine with MolForge

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Related Compounds

1-tert-butyl-N-[[2-methyl-4-[3-[(3S)-3-(methylamino)piperidin-1-yl]-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide
CID 162725169
5-tert-butyl-N-[[2-methyl-4-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162725200
1-tert-butyl-N-[[2-methyl-4-[3-[3-(methylamino)piperidin-1-yl]-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide;hydrochloride
CID 162725209
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 130877424
5-tert-butyl-N-[[4-[3-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162724965
(1S,4S)-2-(4-phenyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
CID 118450675
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
1-[4-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 130643019
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670433
3-[1-(fluoromethyl)cyclopropyl]-N-[[2-methyl-4-(3-piperazin-1-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 162725151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine (CID 162725351) is 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2ccncc2N2CC3CNC(C3)C2)cc1C.
What is the InChIKey of 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine?
The InChIKey is QZRXEIOXZBEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-14-7-16(3-4-17(14)10-21-2)19-5-6-22-11-20(19)24-12-15-8-18(13-24)23-9-15/h3-7,11,15,18,21,23H,8-10,12-13H2,1-2H3.
What are the key properties of 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine?
1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine has a molecular weight of 322.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,6-diazabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 162725351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).