6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine

C31H36N10O4 — CID 143272613

IUPAC6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine
SMILESC/C(N)=C(\C(=O)C=O)N1Cc2ccc(CNC(=O)c3cc(C(=O)NC4CCc5c4ccc(/C=N/N)c5C)ncn3)cc2C1.NN
InChIInChI=1S/C31H32N8O4.H4N2/c1-17-20(12-37-33)5-6-24-23(17)7-8-25(24)38-31(43)27-10-26(35-16-36-27)30(42)34-11-19-3-4-21-13-39(14-22(21)9-19)29(18(2)32)28(41)15-40;1-2/h3-6,9-10,12,15-16,25H,7-8,11,13-14,32-33H2,1-2H3,(H,34,42)(H,38,43);1-2H2/b29-18-,37-12+;
InChIKeyRGPZIQPHEYTTRS-QNVUFMHFSA-N
MW612.70 g/mol
LogP0.52
Rot. Bonds9

About 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine

6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine (PubChem CID 143272613) has the molecular formula C31H36N10O4 and a molecular weight of 612.70 g/mol. Its IUPAC name is 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine.

Molecular Properties

Compound Name6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine
PubChem CID143272613
Molecular FormulaC31H36N10O4
Molecular Weight612.70 g/mol
Exact Mass612.29
IUPAC Name6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine
SMILESC/C(N)=C(\C(=O)C=O)N1Cc2ccc(CNC(=O)c3cc(C(=O)NC4CCc5c4ccc(/C=N/N)c5C)ncn3)cc2C1.NN
InChIInChI=1S/C31H32N8O4.H4N2/c1-17-20(12-37-33)5-6-24-23(17)7-8-25(24)38-31(43)27-10-26(35-16-36-27)30(42)34-11-19-3-4-21-13-39(14-22(21)9-19)29(18(2)32)28(41)15-40;1-2/h3-6,9-10,12,15-16,25H,7-8,11,13-14,32-33H2,1-2H3,(H,34,42)(H,38,43);1-2H2/b29-18-,37-12+;
InChIKeyRGPZIQPHEYTTRS-QNVUFMHFSA-N
XLogP0.52
TPSA237.80 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.70
LogP ≤ 50.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine with MolForge

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Related Compounds

6-N-[[2-(2-amino-4-methylidene-3-oxocyclobuten-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]methyl]-4-N-[4-methyl-5-(methyliminomethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 143273047
6-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11541735
4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686072
6-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-1,3-dihydroisoindol-5-yl]methyl]-4-N-[(1S)-4-methyl-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686176
4-N-[5-(2,3-dihydro-1H-tetrazol-5-yl)-4-methyl-2,3-dihydro-1H-inden-1-yl]-6-N-[[2-(2-methyl-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]pyrimidine-4,6-dicarboxamide
CID 143817820
(1S)-1-[[6-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydroindol-6-yl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686285
(1S)-1-[[6-[[3-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]-2,3-dihydro-1H-inden-5-yl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686838
(1S)-1-[[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686765
6-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11591773
(1S)-4-methyl-1-[[6-[[4-(1-oxopropan-2-yl)-2,3-dihydro-1,4-benzoxazin-6-yl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 143272797
(Z)-4-amino-3-(5-ethyl-1,3-dihydroisoindol-2-yl)-2-oxopent-3-enal
CID 143272665
6-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]methyl]-4-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686016

Frequently Asked Questions

What is the IUPAC name of 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine?
The IUPAC name of 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine (CID 143272613) is 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine.
What is the SMILES notation for 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine?
The canonical SMILES for 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine is C/C(N)=C(\C(=O)C=O)N1Cc2ccc(CNC(=O)c3cc(C(=O)NC4CCc5c4ccc(/C=N/N)c5C)ncn3)cc2C1.NN.
What is the InChIKey of 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine?
The InChIKey is RGPZIQPHEYTTRS-QNVUFMHFSA-N. The full InChI is InChI=1S/C31H32N8O4.H4N2/c1-17-20(12-37-33)5-6-24-23(17)7-8-25(24)38-31(43)27-10-26(35-16-36-27)30(42)34-11-19-3-4-21-13-39(14-22(21)9-19)29(18(2)32)28(41)15-40;1-2/h3-6,9-10,12,15-16,25H,7-8,11,13-14,32-33H2,1-2H3,(H,34,42)(H,38,43);1-2H2/b29-18-,37-12+;.
What are the key properties of 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine?
6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine has a molecular weight of 612.70 g/mol, XLogP of 0.52, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[2-[(Z)-2-amino-4,5-dioxopent-2-en-3-yl]-1,3-dihydroisoindol-5-yl]methyl]-4-N-[5-[(E)-hydrazinylidenemethyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;hydrazine is sourced from PubChem (CID 143272613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).