ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate

C19H30N4O3 — CID 69455489

IUPACethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)nc(NCCC2CCCN2CC2CC2)c1=O
InChIInChI=1S/C19H30N4O3/c1-3-26-17(24)13-23-11-14(2)21-18(19(23)25)20-9-8-16-5-4-10-22(16)12-15-6-7-15/h11,15-16H,3-10,12-13H2,1-2H3,(H,20,21)
InChIKeyNHTUUWKHEYNFIQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.79
Rot. Bonds9

About ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate

ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate (PubChem CID 69455489) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate
PubChem CID69455489
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nameethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)nc(NCCC2CCCN2CC2CC2)c1=O
InChIInChI=1S/C19H30N4O3/c1-3-26-17(24)13-23-11-14(2)21-18(19(23)25)20-9-8-16-5-4-10-22(16)12-15-6-7-15/h11,15-16H,3-10,12-13H2,1-2H3,(H,20,21)
InChIKeyNHTUUWKHEYNFIQ-UHFFFAOYSA-N
XLogP1.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate (CID 69455489) is ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate is CCOC(=O)Cn1cc(C)nc(NCCC2CCCN2CC2CC2)c1=O.
What is the InChIKey of ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate?
The InChIKey is NHTUUWKHEYNFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-26-17(24)13-23-11-14(2)21-18(19(23)25)20-9-8-16-5-4-10-22(16)12-15-6-7-15/h11,15-16H,3-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate?
ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate has a molecular weight of 362.47 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[1-(cyclopropylmethyl)pyrrolidin-2-yl]ethylamino]-5-methyl-2-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 69455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).