ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate

C16H25N3O5 — CID 58001797

IUPACethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ccc(OC)nc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25N3O5/c1-5-22-14(20)8-17-12-6-7-13(21-4)19-15(12)18-11-9-23-16(2,3)24-10-11/h6-7,11,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyTZRPTYUFKXAHCC-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.63
Rot. Bonds7

About ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate

ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate (PubChem CID 58001797) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate
PubChem CID58001797
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Nameethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ccc(OC)nc1NC1COC(C)(C)OC1
InChIInChI=1S/C16H25N3O5/c1-5-22-14(20)8-17-12-6-7-13(21-4)19-15(12)18-11-9-23-16(2,3)24-10-11/h6-7,11,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyTZRPTYUFKXAHCC-UHFFFAOYSA-N
XLogP1.63
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
2-[2-[(6-Methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2826401
2-[2-[(6-Methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 2826403
N-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxy-3-nitropyridin-2-amine
CID 58001746
4-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
CID 58001766
4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one
CID 58001769
N2-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
CID 58001800
N-methyl-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 158096441
4-N-[2-(difluoromethoxy)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]cyclohexane-1,4-diamine
CID 169636759
2-((3-Amino-6-methoxy-2-pyridyl)amino)ethanol dihydrochloride
CID 3019251
6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine
CID 63827810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate (CID 58001797) is ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate is CCOC(=O)CNc1ccc(OC)nc1NC1COC(C)(C)OC1.
What is the InChIKey of ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate?
The InChIKey is TZRPTYUFKXAHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-5-22-14(20)8-17-12-6-7-13(21-4)19-15(12)18-11-9-23-16(2,3)24-10-11/h6-7,11,17H,5,8-10H2,1-4H3,(H,18,19).
What are the key properties of ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate?
ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate has a molecular weight of 339.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-6-methoxy-3-pyridinyl]amino]acetate is sourced from PubChem (CID 58001797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).