N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine

C20H22N4 — CID 84591264

IUPACN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1cccc(CN(Cc2cccnc2)Cc2cccc(C)n2)n1
InChIInChI=1S/C20H22N4/c1-16-6-3-9-19(22-16)14-24(13-18-8-5-11-21-12-18)15-20-10-4-7-17(2)23-20/h3-12H,13-15H2,1-2H3
InChIKeyRFFKVHYKCOUZDB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.69
Rot. Bonds6

About N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine

N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 84591264) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID84591264
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1cccc(CN(Cc2cccnc2)Cc2cccc(C)n2)n1
InChIInChI=1S/C20H22N4/c1-16-6-3-9-19(22-16)14-24(13-18-8-5-11-21-12-18)15-20-10-4-7-17(2)23-20/h3-12H,13-15H2,1-2H3
InChIKeyRFFKVHYKCOUZDB-UHFFFAOYSA-N
XLogP3.69
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519916
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
2-methyl-6-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158328245
N,N'-dibenzyl-N-[3-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]propyl]-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 102022894
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 46979349
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
N-[[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-5-nitrophenyl]methyl]-1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102180294
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
[6-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 62254279
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine (CID 84591264) is N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine is Cc1cccc(CN(Cc2cccnc2)Cc2cccc(C)n2)n1.
What is the InChIKey of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is RFFKVHYKCOUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-16-6-3-9-19(22-16)14-24(13-18-8-5-11-21-12-18)15-20-10-4-7-17(2)23-20/h3-12H,13-15H2,1-2H3.
What are the key properties of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine?
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 318.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 84591264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).