bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane

C33H40N8 — CID 159654962

IUPACbis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane
SMILESC.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1
InChIInChI=1S/2C16H18N4.CH4/c2*17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13;/h2*3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19);1H4
InChIKeyMSBBMVRSLYJHGW-UHFFFAOYSA-N
MW548.74 g/mol
LogP5.30
Rot. Bonds4

About bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane

bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane (PubChem CID 159654962) has the molecular formula C33H40N8 and a molecular weight of 548.74 g/mol. Its IUPAC name is bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane.

Molecular Properties

Compound Namebis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane
PubChem CID159654962
Molecular FormulaC33H40N8
Molecular Weight548.74 g/mol
Exact Mass548.34
IUPAC Namebis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane
SMILESC.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1
InChIInChI=1S/2C16H18N4.CH4/c2*17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13;/h2*3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19);1H4
InChIKeyMSBBMVRSLYJHGW-UHFFFAOYSA-N
XLogP5.30
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.74
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane with MolForge

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Related Compounds

4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoro-3-pyridinyl]pyridin-2-amine
CID 76322027
5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoro-3-pyridinyl]pyridin-2-amine
CID 76332878
4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
CID 122186928
5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
CID 122186932
5-[5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
CID 56839764
4-[5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
CID 56839766
CID 143179150
CID 143179150
bis{1,3-di(4-methyl-2-pyridylimino)isoindolinato}cadmium(II)
CID 139138446
ZINC;benzene;bis(3-[4-[di(pyrrol-1-id-2-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]pyrrolo[2,3-b]pyridin-1-ium)
CID 139197588
Bis(3-[4-[di(pyrrol-1-id-2-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]pyrrolo[2,3-b]pyridin-1-ium);nickel(2+)
CID 139197590
bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)
CID 164672457
5,10,15,20-Tetrakis(1-methylpyridin-1-ium-4-yl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,23-docosahydroporphyrin-22,24-diide
CID 172035420

Frequently Asked Questions

What is the IUPAC name of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane?
The IUPAC name of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane (CID 159654962) is bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane.
What is the SMILES notation for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane?
The canonical SMILES for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane is C.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1.Nc1cc(-c2cncc(C3CC4CCC3N4)c2)ccn1.
What is the InChIKey of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane?
The InChIKey is MSBBMVRSLYJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18N4.CH4/c2*17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13;/h2*3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19);1H4.
What are the key properties of bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane?
bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane has a molecular weight of 548.74 g/mol, XLogP of 5.30, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine);methane is sourced from PubChem (CID 159654962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).