3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide

C16H16N4O — CID 57273130

IUPAC3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(=Cc1[nH]c(C)cc1C)C(=O)N2
InChIInChI=1S/C16H16N4O/c1-8-5-9(2)19-14(8)7-12-11-6-10(15(17)18)3-4-13(11)20-16(12)21/h3-7,19H,1-2H3,(H3,17,18)(H,20,21)
InChIKeyQDSTXZUNXYOABH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds2

About 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide

3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide (PubChem CID 57273130) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide
PubChem CID57273130
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(=Cc1[nH]c(C)cc1C)C(=O)N2
InChIInChI=1S/C16H16N4O/c1-8-5-9(2)19-14(8)7-12-11-6-10(15(17)18)3-4-13(11)20-16(12)21/h3-7,19H,1-2H3,(H3,17,18)(H,20,21)
InChIKeyQDSTXZUNXYOABH-UHFFFAOYSA-N
XLogP2.41
TPSA94.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 5353977
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
CID 85472327
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(5-methoxy-2-pyridinyl)-1H-indol-2-one
CID 118696359
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
CID 146036435
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one
CID 118696350
(3Z)-4-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 11482682
(3Z)-4-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 143515088
3-oxo-1,2-dihydroisoindole-5-carboximidamide
CID 83874351
2-methyl-6-oxo-1H-pyridine-4-carboximidamide
CID 68873396
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-(3-isocyano-2-methylphenyl)-1H-indol-2-one
CID 140699759
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-pyrimidin-5-yl-1H-indol-2-one
CID 118696401
2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine
CID 57274644

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide (CID 57273130) is 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C(=Cc1[nH]c(C)cc1C)C(=O)N2.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide?
The InChIKey is QDSTXZUNXYOABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-8-5-9(2)19-14(8)7-12-11-6-10(15(17)18)3-4-13(11)20-16(12)21/h3-7,19H,1-2H3,(H3,17,18)(H,20,21).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide?
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide has a molecular weight of 280.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide is sourced from PubChem (CID 57273130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).