methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate

C19H26N4O4 — CID 176826623

IUPACmethyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
SMILESCCc1nc(-c2nnn(C)c2CO)ccc1[C@H]1CCC[C@H](CC(=O)OC)O1
InChIInChI=1S/C19H26N4O4/c1-4-14-13(17-7-5-6-12(27-17)10-18(25)26-3)8-9-15(20-14)19-16(11-24)23(2)22-21-19/h8-9,12,17,24H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyUIEVUUCULGLCQQ-SJKOYZFVSA-N
MW374.44 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate

methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate (PubChem CID 176826623) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
PubChem CID176826623
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namemethyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
SMILESCCc1nc(-c2nnn(C)c2CO)ccc1[C@H]1CCC[C@H](CC(=O)OC)O1
InChIInChI=1S/C19H26N4O4/c1-4-14-13(17-7-5-6-12(27-17)10-18(25)26-3)8-9-15(20-14)19-16(11-24)23(2)22-21-19/h8-9,12,17,24H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyUIEVUUCULGLCQQ-SJKOYZFVSA-N
XLogP2.11
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 1-[[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carboxylate
CID 163500384
Methyl 5,5-difluoro-1-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 169096042
2-[2-(Difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid
CID 175461631
Ethyl 2-[4-fluoro-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]acetate
CID 175461711
2-[(3R)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetic acid
CID 162729825
ethyl 2-[(3R)-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetate
CID 162729871
2-[(3R)-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetic acid
CID 162729915
Ethyl 2-[4-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]morpholin-2-yl]acetate
CID 162730000
ethyl 2-[(3R)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 162730123
prop-2-enyl 2-[(3R)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 163681037
Methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
carbanide;(2Z,4Z)-6-[[3-methyl-5-[6-methyl-5-[4-(2-oxoethyl)oxan-2-yl]-2-pyridinyl]triazol-4-yl]methyl]-4-propylcycloocta-2,4-dien-1-one;uranium(2+)
CID 166105538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate (CID 176826623) is methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate is CCc1nc(-c2nnn(C)c2CO)ccc1[C@H]1CCC[C@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?
The InChIKey is UIEVUUCULGLCQQ-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-14-13(17-7-5-6-12(27-17)10-18(25)26-3)8-9-15(20-14)19-16(11-24)23(2)22-21-19/h8-9,12,17,24H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1.
What are the key properties of methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?
methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate has a molecular weight of 374.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6R)-6-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate is sourced from PubChem (CID 176826623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).