acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

C121H140N28O17 — CID 157451166

IUPACacetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
SMILESC/C=C/C(=O)O.CC(=O)N(C)C.CC(=O)NN.CC(C)=NO.CCN(CC)C(C)=O.COC(C)=O.N#Cc1ccccn1.N#Cc1cccnc1.N#Cc1ccncc1.NC(=O)c1ccccn1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(C2CCCC2)c1
InChIInChI=1S/C10H13N.3C6H6N2O.3C6H4N2.3C6H5NO2.C6H13NO.7C5H5N.C4H9NO.C4H6O2.C3H7NO.C3H6O2.C2H6N2O/c1-2-5-9(4-1)10-6-3-7-11-8-10;7-6(9)5-1-3-8-4-2-5;7-6(9)5-2-1-3-8-4-5;7-6(9)5-3-1-2-4-8-5;7-5-6-1-3-8-4-2-6;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;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;1-4-7(5-2)6(3)8;7*1-2-4-6-5-3-1;1-4(6)5(2)3;1-2-3-4(5)6;1-3(2)4-5;1-3(4)5-2;1-2(5)4-3/h3,6-9H,1-2,4-5H2;3*1-4H,(H2,7,9);1-4H;1-3,5H;1-4H;3*1-4H,(H,8,9);4-5H2,1-3H3;7*1-5H;1-3H3;2-3H,1H3,(H,5,6);5H,1-2H3;1-2H3;3H2,1H3,(H,4,5)/b;;;;;;;;;;;;;;;;;;;3-2+;;;
InChIKeyBSUZWICWKXPHOK-IBMUBVLDSA-N
MW2258.63 g/mol
LogP17.70
Rot. Bonds10

About acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (PubChem CID 157451166) has the molecular formula C121H140N28O17 and a molecular weight of 2258.63 g/mol. Its IUPAC name is acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameacetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
PubChem CID157451166
Molecular FormulaC121H140N28O17
Molecular Weight2258.63 g/mol
Exact Mass2257.10
IUPAC Nameacetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
SMILESC/C=C/C(=O)O.CC(=O)N(C)C.CC(=O)NN.CC(C)=NO.CCN(CC)C(C)=O.COC(C)=O.N#Cc1ccccn1.N#Cc1cccnc1.N#Cc1ccncc1.NC(=O)c1ccccn1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(C2CCCC2)c1
InChIInChI=1S/C10H13N.3C6H6N2O.3C6H4N2.3C6H5NO2.C6H13NO.7C5H5N.C4H9NO.C4H6O2.C3H7NO.C3H6O2.C2H6N2O/c1-2-5-9(4-1)10-6-3-7-11-8-10;7-6(9)5-1-3-8-4-2-5;7-6(9)5-2-1-3-8-4-5;7-6(9)5-3-1-2-4-8-5;7-5-6-1-3-8-4-2-6;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;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;1-4-7(5-2)6(3)8;7*1-2-4-6-5-3-1;1-4(6)5(2)3;1-2-3-4(5)6;1-3(2)4-5;1-3(4)5-2;1-2(5)4-3/h3,6-9H,1-2,4-5H2;3*1-4H,(H2,7,9);1-4H;1-3,5H;1-4H;3*1-4H,(H,8,9);4-5H2,1-3H3;7*1-5H;1-3H3;2-3H,1H3,(H,5,6);5H,1-2H3;1-2H3;3H2,1H3,(H,4,5)/b;;;;;;;;;;;;;;;;;;;3-2+;;;
InChIKeyBSUZWICWKXPHOK-IBMUBVLDSA-N
XLogP17.70
TPSA723.60 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds10
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.63
LogP ≤ 517.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid with MolForge

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Related Compounds

N,N-diethyl-3-(pyridine-2-carbonyl)pyridine-2-carboxamide;N,N-diethylpyridine-2-carboxamide;hydrazine;pyridine-2-carboxylic acid;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 159346576
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
CID 159630383
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
1-Azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-3-carboxamide;bis(pyridine-4-carboxamide);pyridine-4-carboxylate;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid
CID 162133973

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The IUPAC name of acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (CID 157451166) is acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.
What is the SMILES notation for acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The canonical SMILES for acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is C/C=C/C(=O)O.CC(=O)N(C)C.CC(=O)NN.CC(C)=NO.CCN(CC)C(C)=O.COC(C)=O.N#Cc1ccccn1.N#Cc1cccnc1.N#Cc1ccncc1.NC(=O)c1ccccn1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(C2CCCC2)c1.
What is the InChIKey of acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
The InChIKey is BSUZWICWKXPHOK-IBMUBVLDSA-N. The full InChI is InChI=1S/C10H13N.3C6H6N2O.3C6H4N2.3C6H5NO2.C6H13NO.7C5H5N.C4H9NO.C4H6O2.C3H7NO.C3H6O2.C2H6N2O/c1-2-5-9(4-1)10-6-3-7-11-8-10;7-6(9)5-1-3-8-4-2-5;7-6(9)5-2-1-3-8-4-5;7-6(9)5-3-1-2-4-8-5;7-5-6-1-3-8-4-2-6;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;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;1-4-7(5-2)6(3)8;7*1-2-4-6-5-3-1;1-4(6)5(2)3;1-2-3-4(5)6;1-3(2)4-5;1-3(4)5-2;1-2(5)4-3/h3,6-9H,1-2,4-5H2;3*1-4H,(H2,7,9);1-4H;1-3,5H;1-4H;3*1-4H,(H,8,9);4-5H2,1-3H3;7*1-5H;1-3H3;2-3H,1H3,(H,5,6);5H,1-2H3;1-2H3;3H2,1H3,(H,4,5)/b;;;;;;;;;;;;;;;;;;;3-2+;;;.
What are the key properties of acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?
acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid has a molecular weight of 2258.63 g/mol, XLogP of 17.70, 10 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is sourced from PubChem (CID 157451166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).