carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate

C17H16N6O5 — CID 90795443

IUPACcarbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
SMILESCCNC(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1
InChIInChI=1S/C17H16N6O5/c1-2-19-16(25)22-13-8-14(21-9-20-13)27-12-5-3-4-11-10(12)6-7-23(11)17(26)28-15(18)24/h3-9H,2H2,1H3,(H2,18,24)(H2,19,20,21,22,25)
InChIKeyQVEJDEFRRDIUSM-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.43
Rot. Bonds4

About carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate

carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate (PubChem CID 90795443) has the molecular formula C17H16N6O5 and a molecular weight of 384.35 g/mol. Its IUPAC name is carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
PubChem CID90795443
Molecular FormulaC17H16N6O5
Molecular Weight384.35 g/mol
Exact Mass384.12
IUPAC Namecarbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
SMILESCCNC(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1
InChIInChI=1S/C17H16N6O5/c1-2-19-16(25)22-13-8-14(21-9-20-13)27-12-5-3-4-11-10(12)6-7-23(11)17(26)28-15(18)24/h3-9H,2H2,1H3,(H2,18,24)(H2,19,20,21,22,25)
InChIKeyQVEJDEFRRDIUSM-UHFFFAOYSA-N
XLogP2.43
TPSA150.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 90741762
4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054791
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
1-ethyl-3-[8-(pyridin-2-yloxymethyl)isoquinolin-3-yl]urea
CID 67447739
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide
CID 67450696
1-[6-[4-(carbamoylamino)-2,3-dichlorophenoxy]pyrimidin-4-yl]-3-methylurea
CID 123887521
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
1-ethyl-3-[8-[(2-methyl-3-pyridinyl)oxymethyl]isoquinolin-3-yl]urea;hydrochloride
CID 67449709
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
CID 123999228
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The IUPAC name of carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate (CID 90795443) is carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate.
What is the SMILES notation for carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The canonical SMILES for carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate is CCNC(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1.
What is the InChIKey of carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The InChIKey is QVEJDEFRRDIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O5/c1-2-19-16(25)22-13-8-14(21-9-20-13)27-12-5-3-4-11-10(12)6-7-23(11)17(26)28-15(18)24/h3-9H,2H2,1H3,(H2,18,24)(H2,19,20,21,22,25).
What are the key properties of carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate has a molecular weight of 384.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate is sourced from PubChem (CID 90795443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).