N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride

C20H33Cl2N7V — CID 173243697

IUPACN-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride
SMILESCC(=NNN1CCCCC1)c1cc(C)cc(C(C)=NNN2CCCCC2)n1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C20H33N7.2ClH.V/c1-16-14-19(17(2)22-24-26-10-6-4-7-11-26)21-20(15-16)18(3)23-25-27-12-8-5-9-13-27;;;/h14-15,24-25H,4-13H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNYCYWNAXJOUSNQ-UHFFFAOYSA-L
MW493.38 g/mol
LogP-3.18
Rot. Bonds6

About N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride

N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride (PubChem CID 173243697) has the molecular formula C20H33Cl2N7V and a molecular weight of 493.38 g/mol. Its IUPAC name is N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride.

Molecular Properties

Compound NameN-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride
PubChem CID173243697
Molecular FormulaC20H33Cl2N7V
Molecular Weight493.38 g/mol
Exact Mass492.16
IUPAC NameN-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride
SMILESCC(=NNN1CCCCC1)c1cc(C)cc(C(C)=NNN2CCCCC2)n1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C20H33N7.2ClH.V/c1-16-14-19(17(2)22-24-26-10-6-4-7-11-26)21-20(15-16)18(3)23-25-27-12-8-5-9-13-27;;;/h14-15,24-25H,4-13H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyNYCYWNAXJOUSNQ-UHFFFAOYSA-L
XLogP-3.18
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244063
cobalt(2+);1-[4-methyl-6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine;dichloride
CID 173243523
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
iron(2+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[C-methyl-N-[4-methyl-2,6-di(propan-2-yl)phenyl]carbonimidoyl]-2-pyridinyl]ethanimine;dichloride
CID 173244477
1-[4-chloro-6-[N-(2,6-dicyclohexyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dicyclohexyl-4-methylphenyl)ethanimine;vanadium;trichloride
CID 173243535
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrimidin-2-amine
CID 97185147
1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
CID 173242783
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3092763
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
gallium N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide
CID 50910578
N-[(Z)-1-pyridazin-3-ylethylideneamino]azepane-1-carbothioamide
CID 6400886

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride?
The IUPAC name of N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride (CID 173243697) is N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride.
What is the SMILES notation for N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride?
The canonical SMILES for N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride is CC(=NNN1CCCCC1)c1cc(C)cc(C(C)=NNN2CCCCC2)n1.[Cl-].[Cl-].[V+2].
What is the InChIKey of N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride?
The InChIKey is NYCYWNAXJOUSNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H33N7.2ClH.V/c1-16-14-19(17(2)22-24-26-10-6-4-7-11-26)21-20(15-16)18(3)23-25-27-12-8-5-9-13-27;;;/h14-15,24-25H,4-13H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride?
N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride has a molecular weight of 493.38 g/mol, XLogP of -3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-6-[C-methyl-N-(piperidin-1-ylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]piperidin-1-amine;vanadium(2+);dichloride is sourced from PubChem (CID 173243697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).