6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 115268236

IUPAC6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
SMILESCCN(C(=O)C(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-4-14(11(15)8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIOTINGFJQFNMLM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.79
Rot. Bonds4

About 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid

6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid (PubChem CID 115268236) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
PubChem CID115268236
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
SMILESCCN(C(=O)C(C)C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-4-14(11(15)8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIOTINGFJQFNMLM-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 115268252
6-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
CID 79489836
6-[1-(diethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 61304773
6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 115268256
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
4-[6-(diethylamino)-3-pyridinyl]benzoic acid
CID 82123769
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
3-[(5-carbamoyl-2-pyridinyl)-ethylamino]butanoic acid
CID 62826549

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid (CID 115268236) is 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid is CCN(C(=O)C(C)C)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IOTINGFJQFNMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14(11(15)8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid?
6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115268236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).