6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid

C15H24N2O3 — CID 65288719

IUPAC6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid
SMILESCOc1cccc(CNC(C)CCCC(C)C(=O)O)n1
InChIInChI=1S/C15H24N2O3/c1-11(15(18)19)6-4-7-12(2)16-10-13-8-5-9-14(17-13)20-3/h5,8-9,11-12,16H,4,6-7,10H2,1-3H3,(H,18,19)
InChIKeyWFQSKJVEBLKXCM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.46
Rot. Bonds9

About 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid

6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid (PubChem CID 65288719) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid
PubChem CID65288719
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid
SMILESCOc1cccc(CNC(C)CCCC(C)C(=O)O)n1
InChIInChI=1S/C15H24N2O3/c1-11(15(18)19)6-4-7-12(2)16-10-13-8-5-9-14(17-13)20-3/h5,8-9,11-12,16H,4,6-7,10H2,1-3H3,(H,18,19)
InChIKeyWFQSKJVEBLKXCM-UHFFFAOYSA-N
XLogP2.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
4-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-2-amine
CID 63985074
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524
6-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylheptanoic acid
CID 65322752
2-[(6-methoxy-2-pyridinyl)methylamino]-1-morpholin-4-ylbutan-1-one
CID 122145617
2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 65289685
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
CID 112582303

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid?
The IUPAC name of 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid (CID 65288719) is 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid is COc1cccc(CNC(C)CCCC(C)C(=O)O)n1.
What is the InChIKey of 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid?
The InChIKey is WFQSKJVEBLKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(15(18)19)6-4-7-12(2)16-10-13-8-5-9-14(17-13)20-3/h5,8-9,11-12,16H,4,6-7,10H2,1-3H3,(H,18,19).
What are the key properties of 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid?
6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid is sourced from PubChem (CID 65288719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).