2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid

C16H21N3O3 — CID 82032871

IUPAC2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1nc2c(C)cccn2c1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C16H21N3O3/c1-9(2)8-12(16(21)22)18-15(20)13-11(4)17-14-10(3)6-5-7-19(13)14/h5-7,9,12H,8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyMZIIORIDSCBBKO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid

2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82032871) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82032871
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1nc2c(C)cccn2c1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C16H21N3O3/c1-9(2)8-12(16(21)22)18-15(20)13-11(4)17-14-10(3)6-5-7-19(13)14/h5-7,9,12H,8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyMZIIORIDSCBBKO-UHFFFAOYSA-N
XLogP2.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 104939921
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
CID 154750746
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764

Frequently Asked Questions

What is the IUPAC name of 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 82032871) is 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid is Cc1nc2c(C)cccn2c1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is MZIIORIDSCBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(2)8-12(16(21)22)18-15(20)13-11(4)17-14-10(3)6-5-7-19(13)14/h5-7,9,12H,8H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82032871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).