3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid

C22H27N3O3 — CID 90903976

IUPAC3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
SMILESCCCC(CC(=O)O)c1cc2cc(OCCc3cccc(NC)n3)ccc2[nH]1
InChIInChI=1S/C22H27N3O3/c1-3-5-15(14-22(26)27)20-13-16-12-18(8-9-19(16)25-20)28-11-10-17-6-4-7-21(23-2)24-17/h4,6-9,12-13,15,25H,3,5,10-11,14H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyQUUQXNSSLQQBTL-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.58
Rot. Bonds10

About 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid

3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid (PubChem CID 90903976) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
PubChem CID90903976
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
SMILESCCCC(CC(=O)O)c1cc2cc(OCCc3cccc(NC)n3)ccc2[nH]1
InChIInChI=1S/C22H27N3O3/c1-3-5-15(14-22(26)27)20-13-16-12-18(8-9-19(16)25-20)28-11-10-17-6-4-7-21(23-2)24-17/h4,6-9,12-13,15,25H,3,5,10-11,14H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyQUUQXNSSLQQBTL-UHFFFAOYSA-N
XLogP4.58
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
CID 70191089
ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
CID 11326106
N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
(2S)-2-[(2-hydroxy-2-phenylacetyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184627
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
(2S)-2-[(2-chloro-5-methoxybenzoyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 68898749

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid?
The IUPAC name of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid (CID 90903976) is 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid.
What is the SMILES notation for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid?
The canonical SMILES for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid is CCCC(CC(=O)O)c1cc2cc(OCCc3cccc(NC)n3)ccc2[nH]1.
What is the InChIKey of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid?
The InChIKey is QUUQXNSSLQQBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-5-15(14-22(26)27)20-13-16-12-18(8-9-19(16)25-20)28-11-10-17-6-4-7-21(23-2)24-17/h4,6-9,12-13,15,25H,3,5,10-11,14H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid?
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid has a molecular weight of 381.48 g/mol, XLogP of 4.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid is sourced from PubChem (CID 90903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).