ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C23H34N2O4 — CID 122179279

IUPACethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26)
InChIKeyVSSHUDIXCXMKSI-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.38
Rot. Bonds10

About ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate

ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 122179279) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID122179279
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nameethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26)
InChIKeyVSSHUDIXCXMKSI-UHFFFAOYSA-N
XLogP4.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 122179279) is ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1.
What is the InChIKey of ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is VSSHUDIXCXMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26).
What are the key properties of ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 402.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-cyclopentyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 122179279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).