(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine

C40H34N10 — CID 139071661

IUPAC(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
SMILESCc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1.Cc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1
InChIInChI=1S/2C20H17N5/c2*1-13-7-5-11-17(21-13)23-19-15-9-3-4-10-16(15)20(25-19)24-18-12-6-8-14(2)22-18/h2*3-12H,1-2H3,(H,21,22,23,24,25)
InChIKeyGTKADQOZSNJDBQ-UHFFFAOYSA-N
MW654.78 g/mol
LogP8.09
Rot. Bonds4

About (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine

(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine (PubChem CID 139071661) has the molecular formula C40H34N10 and a molecular weight of 654.78 g/mol. Its IUPAC name is (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine.

Molecular Properties

Compound Name(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
PubChem CID139071661
Molecular FormulaC40H34N10
Molecular Weight654.78 g/mol
Exact Mass654.30
IUPAC Name(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
SMILESCc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1.Cc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1
InChIInChI=1S/2C20H17N5/c2*1-13-7-5-11-17(21-13)23-19-15-9-3-4-10-16(15)20(25-19)24-18-12-6-8-14(2)22-18/h2*3-12H,1-2H3,(H,21,22,23,24,25)
InChIKeyGTKADQOZSNJDBQ-UHFFFAOYSA-N
XLogP8.09
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825
10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride
CID 387546
Benzo[b][1, 10,10'-hexamethylene-bis[2,4-dimethyl-, dihydrochloride
CID 387544
1-N,4-N-bis(6-methylpyridin-2-yl)phthalazine-1,4-diamine
CID 6412069
(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
CID 12351943
N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
CID 101767624
3-methyl-N,4,6-triphenylpyridin-2-amine
CID 141510651
10-[6-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)hexyl]-2,4-dimethyl-benzo[b][1,8]naphthyridin-5-imine
CID 387545
10-[8-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethyl-benzo[b][1,8]naphthyridin-5-imine
CID 387547
N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
CID 142126002
N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
CID 142127819

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine?
The IUPAC name of (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine (CID 139071661) is (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine.
What is the SMILES notation for (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine?
The canonical SMILES for (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine is Cc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1.Cc1cccc(/N=C2\N=C(Nc3cccc(C)n3)c3ccccc32)n1.
What is the InChIKey of (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine?
The InChIKey is GTKADQOZSNJDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N5/c2*1-13-7-5-11-17(21-13)23-19-15-9-3-4-10-16(15)20(25-19)24-18-12-6-8-14(2)22-18/h2*3-12H,1-2H3,(H,21,22,23,24,25).
What are the key properties of (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine?
(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine has a molecular weight of 654.78 g/mol, XLogP of 8.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine is sourced from PubChem (CID 139071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).