2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

C21H24N4O3 — CID 23966551

IUPAC2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccn2c(NC(C)(C)C)c(-c3ccccc3)nc12)C(=O)O
InChIInChI=1S/C21H24N4O3/c1-13(20(27)28)22-19(26)15-11-8-12-25-17(15)23-16(14-9-6-5-7-10-14)18(25)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,26)(H,27,28)
InChIKeyNTOYJVCEMYSBSH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.41
Rot. Bonds5

About 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (PubChem CID 23966551) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
PubChem CID23966551
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccn2c(NC(C)(C)C)c(-c3ccccc3)nc12)C(=O)O
InChIInChI=1S/C21H24N4O3/c1-13(20(27)28)22-19(26)15-11-8-12-25-17(15)23-16(14-9-6-5-7-10-14)18(25)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,26)(H,27,28)
InChIKeyNTOYJVCEMYSBSH-UHFFFAOYSA-N
XLogP3.41
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (CID 23966551) is 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is CC(NC(=O)c1cccn2c(NC(C)(C)C)c(-c3ccccc3)nc12)C(=O)O.
What is the InChIKey of 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The InChIKey is NTOYJVCEMYSBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(20(27)28)22-19(26)15-11-8-12-25-17(15)23-16(14-9-6-5-7-10-14)18(25)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,26)(H,27,28).
What are the key properties of 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid has a molecular weight of 380.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is sourced from PubChem (CID 23966551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).