2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid

C16H21ClN2O5 — CID 126775677

IUPAC2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCC(C)Oc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)cc1Cl
InChIInChI=1S/C16H21ClN2O5/c1-10(2)24-15-13(17)7-11(8-18-15)16(22)19(9-14(20)21)12-3-5-23-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyJJXIBJVSWYHSOM-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.23
Rot. Bonds6

About 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid

2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 126775677) has the molecular formula C16H21ClN2O5 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID126775677
Molecular FormulaC16H21ClN2O5
Molecular Weight356.81 g/mol
Exact Mass356.11
IUPAC Name2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCC(C)Oc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)cc1Cl
InChIInChI=1S/C16H21ClN2O5/c1-10(2)24-15-13(17)7-11(8-18-15)16(22)19(9-14(20)21)12-3-5-23-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyJJXIBJVSWYHSOM-UHFFFAOYSA-N
XLogP2.23
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 126775677) is 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid is CC(C)Oc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)cc1Cl.
What is the InChIKey of 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is JJXIBJVSWYHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5/c1-10(2)24-15-13(17)7-11(8-18-15)16(22)19(9-14(20)21)12-3-5-23-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 356.81 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 126775677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).