3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid

C12H18N2O3 — CID 114288736

IUPAC3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
SMILESCCCC(COC)Nc1cnccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-4-9(8-17-2)14-11-7-13-6-5-10(11)12(15)16/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyAEGGAFVYUXRKNE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.01
Rot. Bonds7

About 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid

3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114288736) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114288736
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
SMILESCCCC(COC)Nc1cnccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-4-9(8-17-2)14-11-7-13-6-5-10(11)12(15)16/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyAEGGAFVYUXRKNE-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-methoxypentan-2-ylamino)benzoic acid
CID 113333048
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
4-(1-methoxypentan-2-ylamino)-2-methylbenzoic acid
CID 81281965
2-bromo-4-(1-methoxypentan-2-ylamino)benzoic acid
CID 107282124
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
2-(hexan-3-ylamino)benzoic acid
CID 62230532
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106345806
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid (CID 114288736) is 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid is CCCC(COC)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is AEGGAFVYUXRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-9(8-17-2)14-11-7-13-6-5-10(11)12(15)16/h5-7,9,14H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid?
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).