5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid

C13H18N2O4 — CID 63852020

IUPAC5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)5-15-12(16)9(3)19-11-4-10(13(17)18)6-14-7-11/h4,6-9H,5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySSHWUCALSVIQKP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds6

About 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid

5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid (PubChem CID 63852020) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid
PubChem CID63852020
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)5-15-12(16)9(3)19-11-4-10(13(17)18)6-14-7-11/h4,6-9H,5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySSHWUCALSVIQKP-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849
5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
CID 114814582

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid (CID 63852020) is 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid is CC(C)CNC(=O)C(C)Oc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid?
The InChIKey is SSHWUCALSVIQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)5-15-12(16)9(3)19-11-4-10(13(17)18)6-14-7-11/h4,6-9H,5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid?
5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63852020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).