N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide

C23H22N4O2 — CID 143694320

IUPACN-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2ccc3c(c2)NC(=O)/C3=C\c2cc(C)c[nH]2)c1
InChIInChI=1S/C23H22N4O2/c1-13-8-18(24-12-13)9-20-19-7-6-17(11-22(19)27-23(20)29)26-21-10-16(25-15(3)28)5-4-14(21)2/h4-12,24,26H,1-3H3,(H,25,28)(H,27,29)/b20-9-
InChIKeyLDYHYVGSZJNGLO-UKWGHVSLSA-N
MW386.46 g/mol
LogP4.83
Rot. Bonds4

About N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide

N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide (PubChem CID 143694320) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide
PubChem CID143694320
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2ccc3c(c2)NC(=O)/C3=C\c2cc(C)c[nH]2)c1
InChIInChI=1S/C23H22N4O2/c1-13-8-18(24-12-13)9-20-19-7-6-17(11-22(19)27-23(20)29)26-21-10-16(25-15(3)28)5-4-14(21)2/h4-12,24,26H,1-3H3,(H,25,28)(H,27,29)/b20-9-
InChIKeyLDYHYVGSZJNGLO-UKWGHVSLSA-N
XLogP4.83
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 154512244
1-(4-chlorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24962718
1-(3,4-difluorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24957586
methyl 5-[(Z)-[6-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]anilino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
CID 59397131
1-(3-ethylphenyl)-3-[4-methyl-3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 68709682
1-(2,5-dichlorophenyl)-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397123
1-(2,5-dichlorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24959795
1-(2,5-difluorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24957212
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
CID 141140540
N-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 11541195
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079660

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide (CID 143694320) is N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(Nc2ccc3c(c2)NC(=O)/C3=C\c2cc(C)c[nH]2)c1.
What is the InChIKey of N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide?
The InChIKey is LDYHYVGSZJNGLO-UKWGHVSLSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-13-8-18(24-12-13)9-20-19-7-6-17(11-22(19)27-23(20)29)26-21-10-16(25-15(3)28)5-4-14(21)2/h4-12,24,26H,1-3H3,(H,25,28)(H,27,29)/b20-9-.
What are the key properties of N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide?
N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(3Z)-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 143694320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).