N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

C114H203IN16O13Si — CID 160561037

IUPACN,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
SMILESC.C.C.C.C=C[Si](C)(C)OCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c1ccncc1.CCN(CC)C(=O)c1ccncc1C.CCN(CC)C(=O)c1cnccc1C.CCN(CC)C(=O)c1ncccc1C.CCNCC.CI.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1
InChIInChI=1S/3C11H16N2O.3C10H14N2O.3C6H5NO2.C6H14OSi.C4H11N.9C2H6.CH3I.4CH4/c1-4-13(5-2)11(14)10-6-7-12-8-9(10)3;1-4-13(5-2)11(14)10-8-12-7-6-9(10)3;1-4-13(5-2)11(14)10-9(3)7-6-8-12-10;1-3-12(4-2)10(13)9-5-7-11-8-6-9;1-3-12(4-2)10(13)9-6-5-7-11-8-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5;1-5-7-8(3,4)6-2;1-3-5-4-2;10*1-2;;;;/h3*6-8H,4-5H2,1-3H3;3*5-8H,3-4H2,1-2H3;3*1-4H,(H,8,9);6H,2,5H2,1,3-4H3;5H,3-4H2,1-2H3;9*1-2H3;1H3;4*1H4
InChIKeyQZHRXBFZDBNEEQ-UHFFFAOYSA-N
MW2160.97 g/mol
LogP28.05
Rot. Bonds26

About N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (PubChem CID 160561037) has the molecular formula C114H203IN16O13Si and a molecular weight of 2160.97 g/mol. Its IUPAC name is N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.

Molecular Properties

Compound NameN,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
PubChem CID160561037
Molecular FormulaC114H203IN16O13Si
Molecular Weight2160.97 g/mol
Exact Mass2159.45
IUPAC NameN,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
SMILESC.C.C.C.C=C[Si](C)(C)OCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c1ccncc1.CCN(CC)C(=O)c1ccncc1C.CCN(CC)C(=O)c1cnccc1C.CCN(CC)C(=O)c1ncccc1C.CCNCC.CI.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1
InChIInChI=1S/3C11H16N2O.3C10H14N2O.3C6H5NO2.C6H14OSi.C4H11N.9C2H6.CH3I.4CH4/c1-4-13(5-2)11(14)10-6-7-12-8-9(10)3;1-4-13(5-2)11(14)10-8-12-7-6-9(10)3;1-4-13(5-2)11(14)10-9(3)7-6-8-12-10;1-3-12(4-2)10(13)9-5-7-11-8-6-9;1-3-12(4-2)10(13)9-6-5-7-11-8-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5;1-5-7-8(3,4)6-2;1-3-5-4-2;10*1-2;;;;/h3*6-8H,4-5H2,1-3H3;3*5-8H,3-4H2,1-2H3;3*1-4H,(H,8,9);6H,2,5H2,1,3-4H3;5H,3-4H2,1-2H3;9*1-2H3;1H3;4*1H4
InChIKeyQZHRXBFZDBNEEQ-UHFFFAOYSA-N
XLogP28.05
TPSA371.03 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.97
LogP ≤ 528.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The IUPAC name of N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (CID 160561037) is N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.
What is the SMILES notation for N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The canonical SMILES for N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is C.C.C.C.C=C[Si](C)(C)OCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c1ccncc1.CCN(CC)C(=O)c1ccncc1C.CCN(CC)C(=O)c1cnccc1C.CCN(CC)C(=O)c1ncccc1C.CCNCC.CI.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1.
What is the InChIKey of N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The InChIKey is QZHRXBFZDBNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16N2O.3C10H14N2O.3C6H5NO2.C6H14OSi.C4H11N.9C2H6.CH3I.4CH4/c1-4-13(5-2)11(14)10-6-7-12-8-9(10)3;1-4-13(5-2)11(14)10-8-12-7-6-9(10)3;1-4-13(5-2)11(14)10-9(3)7-6-8-12-10;1-3-12(4-2)10(13)9-5-7-11-8-6-9;1-3-12(4-2)10(13)9-6-5-7-11-8-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5;1-5-7-8(3,4)6-2;1-3-5-4-2;10*1-2;;;;/h3*6-8H,4-5H2,1-3H3;3*5-8H,3-4H2,1-2H3;3*1-4H,(H,8,9);6H,2,5H2,1,3-4H3;5H,3-4H2,1-2H3;9*1-2H3;1H3;4*1H4.
What are the key properties of N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid has a molecular weight of 2160.97 g/mol, XLogP of 28.05, 26 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylpyridine-2-carboxamide;N,N-diethyl-3-methylpyridine-4-carboxamide;N,N-diethyl-4-methylpyridine-3-carboxamide;N,N-diethylpyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;ethenyl-ethoxy-dimethylsilane;N-ethylethanamine;iodomethane;methane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is sourced from PubChem (CID 160561037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).