1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine

C29H26N6 — CID 22138659

IUPAC1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CN(Cc2ccccn2)C(Cc2ccncc2)(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C29H26N6/c1-5-15-31-25(9-1)22-35(23-26-10-2-6-16-32-26)29(27-11-3-7-17-33-27,28-12-4-8-18-34-28)21-24-13-19-30-20-14-24/h1-20H,21-23H2
InChIKeyHDIJRCOTESKGHI-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.85
Rot. Bonds9

About 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine

1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine (PubChem CID 22138659) has the molecular formula C29H26N6 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
PubChem CID22138659
Molecular FormulaC29H26N6
Molecular Weight458.57 g/mol
Exact Mass458.22
IUPAC Name1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CN(Cc2ccccn2)C(Cc2ccncc2)(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C29H26N6/c1-5-15-31-25(9-1)22-35(23-26-10-2-6-16-32-26)29(27-11-3-7-17-33-27,28-12-4-8-18-34-28)21-24-13-19-30-20-14-24/h1-20H,21-23H2
InChIKeyHDIJRCOTESKGHI-UHFFFAOYSA-N
XLogP4.85
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
CID 88902013
CID 88902013
N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 148871584
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
CID 157458399
cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate
CID 177277218
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927

Frequently Asked Questions

What is the IUPAC name of 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine (CID 22138659) is 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine is c1ccc(CN(Cc2ccccn2)C(Cc2ccncc2)(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The InChIKey is HDIJRCOTESKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6/c1-5-15-31-25(9-1)22-35(23-26-10-2-6-16-32-26)29(27-11-3-7-17-33-27,28-12-4-8-18-34-28)21-24-13-19-30-20-14-24/h1-20H,21-23H2.
What are the key properties of 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine has a molecular weight of 458.57 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 22138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).