ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide

C29H42N6O2 — CID 170955608

IUPACethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide
SMILESCC.CC(C)=C(/N=C/C(C)=N\N)C(=O)N1CCCC1C.CC(NC=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C14H14N2O.C13H22N4O.C2H6/c1-11(16-10-17)12-2-4-13(5-3-12)14-6-8-15-9-7-14;1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-2/h2-11H,1H3,(H,16,17);8,11H,5-7,14H2,1-4H3;1-2H3/b;15-8+,16-10-;
InChIKeySGVZEWKDXBMAOZ-MJFAAGNCSA-N
MW506.70 g/mol
LogP5.28
Rot. Bonds7

About ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide

ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide (PubChem CID 170955608) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide.

Molecular Properties

Compound Nameethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide
PubChem CID170955608
Molecular FormulaC29H42N6O2
Molecular Weight506.70 g/mol
Exact Mass506.34
IUPAC Nameethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide
SMILESCC.CC(C)=C(/N=C/C(C)=N\N)C(=O)N1CCCC1C.CC(NC=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C14H14N2O.C13H22N4O.C2H6/c1-11(16-10-17)12-2-4-13(5-3-12)14-6-8-15-9-7-14;1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-2/h2-11H,1H3,(H,16,17);8,11H,5-7,14H2,1-4H3;1-2H3/b;15-8+,16-10-;
InChIKeySGVZEWKDXBMAOZ-MJFAAGNCSA-N
XLogP5.28
TPSA113.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide with MolForge

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Related Compounds

ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
CID 170955792
ethane;3-methyl-1-(2-methylpyrrolidin-1-yl)-2-(1,2-oxazol-5-yl)butan-1-one;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
CID 155584746
2-amino-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;(2R)-2-formamido-3-(4-phenylphenyl)propanamide
CID 163300688
[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
CID 170954750
N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane
CID 143630936
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170954618
(2S)-1-[(2S)-2-(4-tert-butyltriazol-1-yl)-3-methylbutanoyl]-N-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170955664
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
1,2-dimethylpyrrolidine;2-(ethylamino)-3,3-dimethylbutanal;methanol;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
CID 162747695

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide?
The IUPAC name of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide (CID 170955608) is ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide.
What is the SMILES notation for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide?
The canonical SMILES for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide is CC.CC(C)=C(/N=C/C(C)=N\N)C(=O)N1CCCC1C.CC(NC=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide?
The InChIKey is SGVZEWKDXBMAOZ-MJFAAGNCSA-N. The full InChI is InChI=1S/C14H14N2O.C13H22N4O.C2H6/c1-11(16-10-17)12-2-4-13(5-3-12)14-6-8-15-9-7-14;1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-2/h2-11H,1H3,(H,16,17);8,11H,5-7,14H2,1-4H3;1-2H3/b;15-8+,16-10-;.
What are the key properties of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide?
ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide has a molecular weight of 506.70 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide is sourced from PubChem (CID 170955608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).