4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid

C11H16N2O3 — CID 64606104

IUPAC4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCOCCC(C)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-8(4-6-16-2)13-9-3-5-12-10(7-9)11(14)15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyODHCBMBPYGJQLI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.62
Rot. Bonds6

About 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid

4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 64606104) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID64606104
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCOCCC(C)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-8(4-6-16-2)13-9-3-5-12-10(7-9)11(14)15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyODHCBMBPYGJQLI-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(4-methoxybutan-2-ylamino)-2-(trifluoromethyl)benzoic acid
CID 64605960
methyl 4-(4-ethylsulfanylbutan-2-ylamino)pyridine-2-carboxylate
CID 113268490
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid (CID 64606104) is 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid is COCCC(C)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is ODHCBMBPYGJQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(4-6-16-2)13-9-3-5-12-10(7-9)11(14)15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid?
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 64606104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).