1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid

C16H19N3O3 — CID 71757293

IUPAC1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cn2ccccc2n1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(18-16(15(21)22)7-3-1-4-8-16)10-12-11-19-9-5-2-6-13(19)17-12/h2,5-6,9,11H,1,3-4,7-8,10H2,(H,18,20)(H,21,22)
InChIKeyXKQGUVABINRSIC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.78
Rot. Bonds4

About 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid

1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 71757293) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID71757293
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cn2ccccc2n1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(18-16(15(21)22)7-3-1-4-8-16)10-12-11-19-9-5-2-6-13(19)17-12/h2,5-6,9,11H,1,3-4,7-8,10H2,(H,18,20)(H,21,22)
InChIKeyXKQGUVABINRSIC-UHFFFAOYSA-N
XLogP1.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylate
CID 56805952
1-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 43169456
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 107833206
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103891005
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)cyclopropyl]methanol
CID 115762997

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid (CID 71757293) is 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid is O=C(Cc1cn2ccccc2n1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XKQGUVABINRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(18-16(15(21)22)7-3-1-4-8-16)10-12-11-19-9-5-2-6-13(19)17-12/h2,5-6,9,11H,1,3-4,7-8,10H2,(H,18,20)(H,21,22).
What are the key properties of 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71757293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).