6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid

C20H24N2O3 — CID 102485294

IUPAC6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OC2CC2)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H24N2O3/c1-4-22(19-10-5-14(12-21-19)20(23)24)15-6-9-17(13(2)3)18(11-15)25-16-7-8-16/h5-6,9-13,16H,4,7-8H2,1-3H3,(H,23,24)
InChIKeyALDUQNFBHYAXQR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.60
Rot. Bonds7

About 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid

6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid (PubChem CID 102485294) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid
PubChem CID102485294
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OC2CC2)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H24N2O3/c1-4-22(19-10-5-14(12-21-19)20(23)24)15-6-9-17(13(2)3)18(11-15)25-16-7-8-16/h5-6,9-13,16H,4,7-8H2,1-3H3,(H,23,24)
InChIKeyALDUQNFBHYAXQR-UHFFFAOYSA-N
XLogP4.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 46893393
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
3-[3-cyclopropyloxy-4-(1-hydroxyethyl)-N-(1,3-oxazol-5-ylmethyl)anilino]benzoic acid
CID 70233242
6-[(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)-ethylamino]pyridine-3-carboxylic acid
CID 10177699
6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
CID 115268274
6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
CID 115268236
6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 115268252
4-[3-[2-(dimethylamino)ethoxy]-N-ethyl-4-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 158732352
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222
4-(bromomethyl)-3-cyclopropyloxybenzoic acid
CID 122501354
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 43611328

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid (CID 102485294) is 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid is CCN(c1ccc(C(C)C)c(OC2CC2)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The InChIKey is ALDUQNFBHYAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(19-10-5-14(12-21-19)20(23)24)15-6-9-17(13(2)3)18(11-15)25-16-7-8-16/h5-6,9-13,16H,4,7-8H2,1-3H3,(H,23,24).
What are the key properties of 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid?
6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 102485294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).