5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid

C18H19N3O3 — CID 67535136

IUPAC5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid
SMILESCC(C)Nc1cc(COc2ccc3[nH]cc(C(=O)O)c3c2)ccn1
InChIInChI=1S/C18H19N3O3/c1-11(2)21-17-7-12(5-6-19-17)10-24-13-3-4-16-14(8-13)15(9-20-16)18(22)23/h3-9,11,20H,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyNOYLGFKKJOPGJJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.66
Rot. Bonds6

About 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid

5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid (PubChem CID 67535136) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid
PubChem CID67535136
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid
SMILESCC(C)Nc1cc(COc2ccc3[nH]cc(C(=O)O)c3c2)ccn1
InChIInChI=1S/C18H19N3O3/c1-11(2)21-17-7-12(5-6-19-17)10-24-13-3-4-16-14(8-13)15(9-20-16)18(22)23/h3-9,11,20H,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyNOYLGFKKJOPGJJ-UHFFFAOYSA-N
XLogP3.66
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 70992531
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 170858023
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
CID 57065668
benzyl 2-(5-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidine-2-carboxylate
CID 19029936
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10902848
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
3-phenyl-3-[5-[3-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid
CID 10113462
methyl 2-oxo-2-(5-prop-2-ynoxy-1H-indol-3-yl)acetate
CID 15505469

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid?
The IUPAC name of 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid (CID 67535136) is 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid is CC(C)Nc1cc(COc2ccc3[nH]cc(C(=O)O)c3c2)ccn1.
What is the InChIKey of 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid?
The InChIKey is NOYLGFKKJOPGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)21-17-7-12(5-6-19-17)10-24-13-3-4-16-14(8-13)15(9-20-16)18(22)23/h3-9,11,20H,10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid?
5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 67535136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).