(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane

C70H99N17O14S — CID 172950921

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane
SMILESC.C.C.CC.CC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.CCC.CN.CNC(=O)c1ccc(/C=N/Nc2ccc(C(=O)NC)cn2)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(NN=C(C)C)nc1.CNS.O=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H17N5O2.C13H14N4O4.C12H9NO5.C10H14N4O.C9H9NO2.C3H8.C2H6.CH5NS.CH5N.3CH4/c1-17-15(22)12-5-3-11(4-6-12)9-20-21-14-8-7-13(10-19-14)16(23)18-2;1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19;14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16;1-7(2)13-14-9-5-4-8(6-12-9)10(15)11-3;1-10-9(12)8-4-2-7(6-11)3-5-8;1-3-2;1-2;1-2-3;1-2;;;/h3-10H,1-2H3,(H,17,22)(H,18,23)(H,19,21);3-4,7H,5-6H2,1-2H3,(H,14,16);1-4,7H,5-6H2;4-6H,1-3H3,(H,11,15)(H,12,14);2-6H,1H3,(H,10,12);3H2,1-2H3;1-2H3;2-3H,1H3;2H2,1H3;3*1H4/b20-9+;;;;;;;;;;;
InChIKeyHDJIOWBGQZFUGQ-MNMLLNTOSA-N
MW1434.73 g/mol
LogP9.16
Rot. Bonds17

About (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane

(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane (PubChem CID 172950921) has the molecular formula C70H99N17O14S and a molecular weight of 1434.73 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane
PubChem CID172950921
Molecular FormulaC70H99N17O14S
Molecular Weight1434.73 g/mol
Exact Mass1433.73
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane
SMILESC.C.C.CC.CC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.CCC.CN.CNC(=O)c1ccc(/C=N/Nc2ccc(C(=O)NC)cn2)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(NN=C(C)C)nc1.CNS.O=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H17N5O2.C13H14N4O4.C12H9NO5.C10H14N4O.C9H9NO2.C3H8.C2H6.CH5NS.CH5N.3CH4/c1-17-15(22)12-5-3-11(4-6-12)9-20-21-14-8-7-13(10-19-14)16(23)18-2;1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19;14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16;1-7(2)13-14-9-5-4-8(6-12-9)10(15)11-3;1-10-9(12)8-4-2-7(6-11)3-5-8;1-3-2;1-2;1-2-3;1-2;;;/h3-10H,1-2H3,(H,17,22)(H,18,23)(H,19,21);3-4,7H,5-6H2,1-2H3,(H,14,16);1-4,7H,5-6H2;4-6H,1-3H3,(H,11,15)(H,12,14);2-6H,1H3,(H,10,12);3H2,1-2H3;1-2H3;2-3H,1H3;2H2,1H3;3*1H4/b20-9+;;;;;;;;;;;
InChIKeyHDJIOWBGQZFUGQ-MNMLLNTOSA-N
XLogP9.16
TPSA427.79 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.73
LogP ≤ 59.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate
CID 46174378
6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone
CID 172921620
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
CID 162014823
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154776108
methyl N'-[4-[[4-[(Z)-[(5-acetyl-2-pyridinyl)hydrazinylidene]methyl]benzoyl]amino]butyl]carbamimidate
CID 91129864
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione
CID 23514653
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
CID 140580661
(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
CID 143085911
acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
CID 157370340

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane (CID 172950921) is (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane is C.C.C.CC.CC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.CCC.CN.CNC(=O)c1ccc(/C=N/Nc2ccc(C(=O)NC)cn2)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(NN=C(C)C)nc1.CNS.O=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane?
The InChIKey is HDJIOWBGQZFUGQ-MNMLLNTOSA-N. The full InChI is InChI=1S/C16H17N5O2.C13H14N4O4.C12H9NO5.C10H14N4O.C9H9NO2.C3H8.C2H6.CH5NS.CH5N.3CH4/c1-17-15(22)12-5-3-11(4-6-12)9-20-21-14-8-7-13(10-19-14)16(23)18-2;1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19;14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16;1-7(2)13-14-9-5-4-8(6-12-9)10(15)11-3;1-10-9(12)8-4-2-7(6-11)3-5-8;1-3-2;1-2;1-2-3;1-2;;;/h3-10H,1-2H3,(H,17,22)(H,18,23)(H,19,21);3-4,7H,5-6H2,1-2H3,(H,14,16);1-4,7H,5-6H2;4-6H,1-3H3,(H,11,15)(H,12,14);2-6H,1H3,(H,10,12);3H2,1-2H3;1-2H3;2-3H,1H3;2H2,1H3;3*1H4/b20-9+;;;;;;;;;;;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane?
(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane has a molecular weight of 1434.73 g/mol, XLogP of 9.16, 17 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane is sourced from PubChem (CID 172950921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).