N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide

C35H35N5O5 — CID 160841568

IUPACN-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(NC(=O)c5occc5C)c4)ccc32)cc1
InChIInChI=1S/C35H35N5O5/c1-4-40(5-2)17-16-36-33(42)23-9-12-26(13-10-23)37-21-29-28-14-11-25(20-30(28)39-34(29)43)31(41)24-7-6-8-27(19-24)38-35(44)32-22(3)15-18-45-32/h6-15,18-21,37H,4-5,16-17H2,1-3H3,(H,36,42)(H,38,44)(H,39,43)/b29-21-
InChIKeySICIHUQNZLOCAU-ANYBSYGZSA-N
MW605.70 g/mol
LogP5.55
Rot. Bonds12

About N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide

N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide (PubChem CID 160841568) has the molecular formula C35H35N5O5 and a molecular weight of 605.70 g/mol. Its IUPAC name is N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide
PubChem CID160841568
Molecular FormulaC35H35N5O5
Molecular Weight605.70 g/mol
Exact Mass605.26
IUPAC NameN-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(NC(=O)c5occc5C)c4)ccc32)cc1
InChIInChI=1S/C35H35N5O5/c1-4-40(5-2)17-16-36-33(42)23-9-12-26(13-10-23)37-21-29-28-14-11-25(20-30(28)39-34(29)43)31(41)24-7-6-8-27(19-24)38-35(44)32-22(3)15-18-45-32/h6-15,18-21,37H,4-5,16-17H2,1-3H3,(H,36,42)(H,38,44)(H,39,43)/b29-21-
InChIKeySICIHUQNZLOCAU-ANYBSYGZSA-N
XLogP5.55
TPSA132.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide 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

5-[(Z)-[6-[(3-cyanophenyl)carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 176515823
1-[3-[(3E)-3-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-phenylurea
CID 69177712
5-acetyl-N-[3-[3-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 73224787
3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119847686
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N',N'-diethyl-N-methylethane-1,2-diamine;ethane;formaldehyde;N-[3-[[(3Z)-2-oxo-3-[2-[[(Z)-pent-2-en-2-yl]amino]propylidene]-1H-indol-6-yl]amino]phenyl]benzamide
CID 143229216
2,4-dimethoxy-N-[3-[3-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]benzamide
CID 69154163
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
CID 174911748
1-(4-methoxyphenyl)-3-[3-[(3E)-3-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]urea
CID 69175867
5-[(Z)-[7-(3-benzamidoanilino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 11678751
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide (CID 160841568) is N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(NC(=O)c5occc5C)c4)ccc32)cc1.
What is the InChIKey of N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is SICIHUQNZLOCAU-ANYBSYGZSA-N. The full InChI is InChI=1S/C35H35N5O5/c1-4-40(5-2)17-16-36-33(42)23-9-12-26(13-10-23)37-21-29-28-14-11-25(20-30(28)39-34(29)43)31(41)24-7-6-8-27(19-24)38-35(44)32-22(3)15-18-45-32/h6-15,18-21,37H,4-5,16-17H2,1-3H3,(H,36,42)(H,38,44)(H,39,43)/b29-21-.
What are the key properties of N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide?
N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 605.70 g/mol, XLogP of 5.55, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]anilino]methylidene]-2-oxo-1H-indole-6-carbonyl]phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 160841568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).