N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C18H19N5O3 — CID 110526255

IUPACN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H19N5O3/c1-3-23-10-12(13-6-4-5-7-15(13)23)9-19-22-16(24)8-14-11(2)20-18(26)21-17(14)25/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)(H2,20,21,25,26)/b19-9-
InChIKeyAYLDTJGVPQOMTA-OCKHKDLRSA-N
MW353.38 g/mol
LogP1.04
Rot. Bonds5

About N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 110526255) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID110526255
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H19N5O3/c1-3-23-10-12(13-6-4-5-7-15(13)23)9-19-22-16(24)8-14-11(2)20-18(26)21-17(14)25/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)(H2,20,21,25,26)/b19-9-
InChIKeyAYLDTJGVPQOMTA-OCKHKDLRSA-N
XLogP1.04
TPSA112.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110526254
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526283
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 6107555
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110526114
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126368555
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781507
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 110526255) is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CCn1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is AYLDTJGVPQOMTA-OCKHKDLRSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-23-10-12(13-6-4-5-7-15(13)23)9-19-22-16(24)8-14-11(2)20-18(26)21-17(14)25/h4-7,9-10H,3,8H2,1-2H3,(H,22,24)(H2,20,21,25,26)/b19-9-.
What are the key properties of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 110526255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).