2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid

C16H21N3O3 — CID 82032865

IUPAC2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1c(C)nc2cc(C)ccn12)C(=O)O
InChIInChI=1S/C16H21N3O3/c1-5-10(3)13(16(21)22)18-15(20)14-11(4)17-12-8-9(2)6-7-19(12)14/h6-8,10,13H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyDHCHYIMJQRIPGU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid

2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 82032865) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
PubChem CID82032865
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1c(C)nc2cc(C)ccn12)C(=O)O
InChIInChI=1S/C16H21N3O3/c1-5-10(3)13(16(21)22)18-15(20)14-11(4)17-12-8-9(2)6-7-19(12)14/h6-8,10,13H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyDHCHYIMJQRIPGU-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

3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
(2S,3S)-3-methyl-2-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]pentanoic acid
CID 119194403
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 95193065
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 39186456
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23935948
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
2-[(Z)-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 126022665

Frequently Asked Questions

What is the IUPAC name of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid (CID 82032865) is 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1c(C)nc2cc(C)ccn12)C(=O)O.
What is the InChIKey of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is DHCHYIMJQRIPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-10(3)13(16(21)22)18-15(20)14-11(4)17-12-8-9(2)6-7-19(12)14/h6-8,10,13H,5H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid?
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-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-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 82032865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).