carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)

C29H47ClIN11O5V2-2 — CID 157299754

IUPACcarbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)
SMILESC.CO.Nc1ccnc(Cl)c1[N+](=O)[O-].Nc1ccnc(N2CCCCC2)c1N.Nc1ccnc(N2CCCCC2)c1[N+](=O)[O-].[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C10H14N4O2.C10H16N4.C5H4ClN3O2.CH2I.CH4O.CH4.CH3.2V/c11-8-4-5-12-10(9(8)14(15)16)13-6-2-1-3-7-13;11-8-4-5-13-10(9(8)12)14-6-2-1-3-7-14;6-5-4(9(10)11)3(7)1-2-8-5;2*1-2;;;;/h4-5H,1-3,6-7H2,(H2,11,12);4-5H,1-3,6-7,12H2,(H2,11,13);1-2H,(H2,7,8);1H2;2H,1H3;1H4;1H3;;/q;;;-1;;;-1;;
InChIKeyYLMBEWRMAAJFRS-UHFFFAOYSA-N
MW894.01 g/mol
LogP5.93
Rot. Bonds4

About carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)

carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) (PubChem CID 157299754) has the molecular formula C29H47ClIN11O5V2-2 and a molecular weight of 894.01 g/mol. Its IUPAC name is carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium).

Molecular Properties

Compound Namecarbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)
PubChem CID157299754
Molecular FormulaC29H47ClIN11O5V2-2
Molecular Weight894.01 g/mol
Exact Mass893.14
IUPAC Namecarbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)
SMILESC.CO.Nc1ccnc(Cl)c1[N+](=O)[O-].Nc1ccnc(N2CCCCC2)c1N.Nc1ccnc(N2CCCCC2)c1[N+](=O)[O-].[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C10H14N4O2.C10H16N4.C5H4ClN3O2.CH2I.CH4O.CH4.CH3.2V/c11-8-4-5-12-10(9(8)14(15)16)13-6-2-1-3-7-13;11-8-4-5-13-10(9(8)12)14-6-2-1-3-7-14;6-5-4(9(10)11)3(7)1-2-8-5;2*1-2;;;;/h4-5H,1-3,6-7H2,(H2,11,12);4-5H,1-3,6-7,12H2,(H2,11,13);1-2H,(H2,7,8);1H2;2H,1H3;1H4;1H3;;/q;;;-1;;;-1;;
InChIKeyYLMBEWRMAAJFRS-UHFFFAOYSA-N
XLogP5.93
TPSA255.74 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.01
LogP ≤ 55.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) with MolForge

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Related Compounds

4-Chloro-2-(4,4-difluoropiperidin-1-yl)-5-nitropyridine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine
CID 156565891
2-Chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine
CID 156565939
2-chloro-3,5-dinitropyridine;ethane;3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine;2-piperidin-1-ylethanamine;propane
CID 144516043
2-Chloro-3-nitropyridin-4-amine;1,1-diiodoethane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;vanadium
CID 157062547
1-(5-Nitro-2-pyridinyl)-4-pyridin-4-ylpiperazine;6-(4-pyridin-4-ylpiperazin-1-yl)pyridin-3-amine
CID 157081232
2-chloro-5-nitropyridine;N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine;2-N-methyl-2-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine
CID 157151515
2-Chloro-3,5-dinitropyridine;1-(3,5-dinitro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine
CID 157463029
N-benzyl-2-(4-methylpiperazin-1-yl)-5-nitropyridin-4-amine;bis(4-N-benzyl-6-(4-methylpiperazin-1-yl)pyridine-3,4-diamine);2,4-dichloro-5-nitropyridine;1-methylpiperazine;phenylmethanamine
CID 157528441
2-Chloro-3-nitropyridine;methane;1-methyl-4-(3-nitro-2-pyridinyl)piperazine;1-methylpiperazine;2-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 157673564
N-benzyl-2-(4-methylpiperazin-1-yl)-5-nitropyridin-4-amine;4-N-benzyl-6-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;2,4-dichloro-5-nitropyridine;1-methylpiperazine;phenylmethanamine
CID 157675726
carbanide;3-N-(2-chloro-5-iodopyrimidin-4-yl)-2-N,2-N-dimethylpyridine-2,3-diamine;2,4-dichloro-5-iodopyrimidine;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;N-methylmethanamine;palladium
CID 157711440
2-chloro-5-nitropyridine;N,N-dimethyl-1-(5-nitro-2-pyridinyl)piperidin-4-amine;N,N-dimethylpiperidin-4-amine
CID 157728988

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)?
The IUPAC name of carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) (CID 157299754) is carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium).
What is the SMILES notation for carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)?
The canonical SMILES for carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) is C.CO.Nc1ccnc(Cl)c1[N+](=O)[O-].Nc1ccnc(N2CCCCC2)c1N.Nc1ccnc(N2CCCCC2)c1[N+](=O)[O-].[CH2-]I.[CH3-].[V].[V].
What is the InChIKey of carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)?
The InChIKey is YLMBEWRMAAJFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.C10H16N4.C5H4ClN3O2.CH2I.CH4O.CH4.CH3.2V/c11-8-4-5-12-10(9(8)14(15)16)13-6-2-1-3-7-13;11-8-4-5-13-10(9(8)12)14-6-2-1-3-7-14;6-5-4(9(10)11)3(7)1-2-8-5;2*1-2;;;;/h4-5H,1-3,6-7H2,(H2,11,12);4-5H,1-3,6-7,12H2,(H2,11,13);1-2H,(H2,7,8);1H2;2H,1H3;1H4;1H3;;/q;;;-1;;;-1;;.
What are the key properties of carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium)?
carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) has a molecular weight of 894.01 g/mol, XLogP of 5.93, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-3-nitropyridin-4-amine;iodomethane;methane;methanol;3-nitro-2-piperidin-1-ylpyridin-4-amine;2-piperidin-1-ylpyridine-3,4-diamine;bis(vanadium) is sourced from PubChem (CID 157299754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).