ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide

C37H34N8 — CID 143416748

IUPACethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide
SMILESCC.[H]/N=C/N/C(=N\c1cccc(/N=C(\C)N/C(=N\c2ccccn2)c2ccc3ccccc3c2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C35H28N8.C2H6/c1-24(40-35(42-31-13-6-7-20-37-31)30-19-17-26-10-3-5-12-28(26)22-30)39-32-14-8-15-33(41-32)43-34(38-23-36)29-18-16-25-9-2-4-11-27(25)21-29;1-2/h2-23H,1H3,(H3,36,37,38,39,40,41,42,43);1-2H3
InChIKeyGAEYSVOCMYKBCO-UHFFFAOYSA-N
MW590.74 g/mol
LogP8.50
Rot. Bonds6

About ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide

ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide (PubChem CID 143416748) has the molecular formula C37H34N8 and a molecular weight of 590.74 g/mol. Its IUPAC name is ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Nameethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide
PubChem CID143416748
Molecular FormulaC37H34N8
Molecular Weight590.74 g/mol
Exact Mass590.29
IUPAC Nameethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide
SMILESCC.[H]/N=C/N/C(=N\c1cccc(/N=C(\C)N/C(=N\c2ccccn2)c2ccc3ccccc3c2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C35H28N8.C2H6/c1-24(40-35(42-31-13-6-7-20-37-31)30-19-17-26-10-3-5-12-28(26)22-30)39-32-14-8-15-33(41-32)43-34(38-23-36)29-18-16-25-9-2-4-11-27(25)21-29;1-2/h2-23H,1H3,(H3,36,37,38,39,40,41,42,43);1-2H3
InChIKeyGAEYSVOCMYKBCO-UHFFFAOYSA-N
XLogP8.50
TPSA110.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.74
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide with MolForge

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Related Compounds

WZ 811
CID 11565518
4-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine Hydrochloride
CID 2947134
4-Methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
CID 134686796
4-Methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
CID 134686797
1-(5-methyl-2-pyridyl)-3-[(1R)-1-(1-naphthyl)ethyl]thiourea
CID 3003542
N-[(E)-naphthalen-1-ylmethylidene]-4-(pyridin-2-yl)piperazin-1-amine
CID 5342978
N*1*-[7-(4''-Methyl-biphenyl-4-yl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 10193837
7-Pyridin-4-ylisoquinolin-1-amine
CID 44533028
1,3-Bis(2-pyridylaminomethyl)benzene
CID 53913350
6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56948983
N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methyl-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167817
5-methyl-2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-4-amine
CID 60167922

Frequently Asked Questions

What is the IUPAC name of ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide?
The IUPAC name of ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide (CID 143416748) is ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide.
What is the SMILES notation for ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide?
The canonical SMILES for ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide is CC.[H]/N=C/N/C(=N\c1cccc(/N=C(\C)N/C(=N\c2ccccn2)c2ccc3ccccc3c2)n1)c1ccc2ccccc2c1.
What is the InChIKey of ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide?
The InChIKey is GAEYSVOCMYKBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N8.C2H6/c1-24(40-35(42-31-13-6-7-20-37-31)30-19-17-26-10-3-5-12-28(26)22-30)39-32-14-8-15-33(41-32)43-34(38-23-36)29-18-16-25-9-2-4-11-27(25)21-29;1-2/h2-23H,1H3,(H3,36,37,38,39,40,41,42,43);1-2H3.
What are the key properties of ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide?
ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide has a molecular weight of 590.74 g/mol, XLogP of 8.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methanimidoyl-N'-[6-[1-[[(Z)-C-naphthalen-2-yl-N-pyridin-2-ylcarbonimidoyl]amino]ethylideneamino]-2-pyridinyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 143416748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).