N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide

C19H20N4O2 — CID 121120020

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C19H20N4O2/c24-18(12-22-9-7-15-3-1-2-4-17(15)22)20-8-10-23-13-21-16(11-19(23)25)14-5-6-14/h1-4,7,9,11,13-14H,5-6,8,10,12H2,(H,20,24)
InChIKeyKHLMBAXFYUHHPD-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide (PubChem CID 121120020) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
PubChem CID121120020
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C19H20N4O2/c24-18(12-22-9-7-15-3-1-2-4-17(15)22)20-8-10-23-13-21-16(11-19(23)25)14-5-6-14/h1-4,7,9,11,13-14H,5-6,8,10,12H2,(H,20,24)
InChIKeyKHLMBAXFYUHHPD-UHFFFAOYSA-N
XLogP1.89
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-2-indol-1-ylacetamide
CID 90541860
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 121120234
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 126854772
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121120019
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 121120140

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide (CID 121120020) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NCCn1cnc(C2CC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide?
The InChIKey is KHLMBAXFYUHHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(12-22-9-7-15-3-1-2-4-17(15)22)20-8-10-23-13-21-16(11-19(23)25)14-5-6-14/h1-4,7,9,11,13-14H,5-6,8,10,12H2,(H,20,24).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 121120020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).