ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium

C35H53N6O3Y- — CID 157304420

IUPACethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium
SMILESC.CC.CC.CC.CC.CON(C)C(=O)c1ccccn1.Cc1ccccn1.N#Cc1ccccn1.O=[C-]c1ccccn1.[Y]
InChIInChI=1S/C8H10N2O2.C6H4N2.C6H4NO.C6H7N.4C2H6.CH4.Y/c1-10(12-2)8(11)7-5-3-4-6-9-7;7-5-6-3-1-2-4-8-6;8-5-6-3-1-2-4-7-6;1-6-4-2-3-5-7-6;4*1-2;;/h3-6H,1-2H3;2*1-4H;2-5H,1H3;4*1-2H3;1H4;/q;;-1;;;;;;;
InChIKeyCAHGKNFWZRRUPZ-UHFFFAOYSA-N
MW694.75 g/mol
LogP8.34
Rot. Bonds3

About ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium

ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium (PubChem CID 157304420) has the molecular formula C35H53N6O3Y- and a molecular weight of 694.75 g/mol. Its IUPAC name is ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium.

Molecular Properties

Compound Nameethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium
PubChem CID157304420
Molecular FormulaC35H53N6O3Y-
Molecular Weight694.75 g/mol
Exact Mass694.32
IUPAC Nameethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium
SMILESC.CC.CC.CC.CC.CON(C)C(=O)c1ccccn1.Cc1ccccn1.N#Cc1ccccn1.O=[C-]c1ccccn1.[Y]
InChIInChI=1S/C8H10N2O2.C6H4N2.C6H4NO.C6H7N.4C2H6.CH4.Y/c1-10(12-2)8(11)7-5-3-4-6-9-7;7-5-6-3-1-2-4-8-6;8-5-6-3-1-2-4-7-6;1-6-4-2-3-5-7-6;4*1-2;;/h3-6H,1-2H3;2*1-4H;2-5H,1H3;4*1-2H3;1H4;/q;;-1;;;;;;;
InChIKeyCAHGKNFWZRRUPZ-UHFFFAOYSA-N
XLogP8.34
TPSA121.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium?
The IUPAC name of ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium (CID 157304420) is ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium.
What is the SMILES notation for ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium?
The canonical SMILES for ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium is C.CC.CC.CC.CC.CON(C)C(=O)c1ccccn1.Cc1ccccn1.N#Cc1ccccn1.O=[C-]c1ccccn1.[Y].
What is the InChIKey of ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium?
The InChIKey is CAHGKNFWZRRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C6H4N2.C6H4NO.C6H7N.4C2H6.CH4.Y/c1-10(12-2)8(11)7-5-3-4-6-9-7;7-5-6-3-1-2-4-8-6;8-5-6-3-1-2-4-7-6;1-6-4-2-3-5-7-6;4*1-2;;/h3-6H,1-2H3;2*1-4H;2-5H,1H3;4*1-2H3;1H4;/q;;-1;;;;;;;.
What are the key properties of ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium?
ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium has a molecular weight of 694.75 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium is sourced from PubChem (CID 157304420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).