4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid

C19H24N2O3 — CID 142102612

IUPAC4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
SMILESCNc1cccc(CCOc2ccc(C(C)CCC(=O)O)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-14(6-11-19(22)23)15-7-9-17(10-8-15)24-13-12-16-4-3-5-18(20-2)21-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBMRUNZNFVIWBNK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.71
Rot. Bonds9

About 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid

4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid (PubChem CID 142102612) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid.

Molecular Properties

Compound Name4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
PubChem CID142102612
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
SMILESCNc1cccc(CCOc2ccc(C(C)CCC(=O)O)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-14(6-11-19(22)23)15-7-9-17(10-8-15)24-13-12-16-4-3-5-18(20-2)21-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBMRUNZNFVIWBNK-UHFFFAOYSA-N
XLogP3.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
(2S)-2-[(2-hydroxy-2-phenylacetyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184627
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
CID 90903976
(2S)-2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184417
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782
(2S)-2-[(3-chloropyridine-2-carbonyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25026134

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid?
The IUPAC name of 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid (CID 142102612) is 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid.
What is the SMILES notation for 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid?
The canonical SMILES for 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid is CNc1cccc(CCOc2ccc(C(C)CCC(=O)O)cc2)n1.
What is the InChIKey of 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid?
The InChIKey is BMRUNZNFVIWBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(6-11-19(22)23)15-7-9-17(10-8-15)24-13-12-16-4-3-5-18(20-2)21-16/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid?
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid is sourced from PubChem (CID 142102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).