4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid

C14H20N4O2 — CID 103385090

IUPAC4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid
SMILESCC(CCNc1nccc2c1ncn2C)CCC(=O)O
InChIInChI=1S/C14H20N4O2/c1-10(3-4-12(19)20)5-7-15-14-13-11(6-8-16-14)18(2)9-17-13/h6,8-10H,3-5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJQDPKEYYSCWQMF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds7

About 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid

4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid (PubChem CID 103385090) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid
PubChem CID103385090
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid
SMILESCC(CCNc1nccc2c1ncn2C)CCC(=O)O
InChIInChI=1S/C14H20N4O2/c1-10(3-4-12(19)20)5-7-15-14-13-11(6-8-16-14)18(2)9-17-13/h6,8-10H,3-5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJQDPKEYYSCWQMF-UHFFFAOYSA-N
XLogP2.27
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid (CID 103385090) is 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid is CC(CCNc1nccc2c1ncn2C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid?
The InChIKey is JQDPKEYYSCWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(3-4-12(19)20)5-7-15-14-13-11(6-8-16-14)18(2)9-17-13/h6,8-10H,3-5,7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid?
4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 103385090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).