4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate

C18H16N3O3- — CID 6922734

IUPAC4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate
SMILESCc1cccn2cc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc12
InChIInChI=1S/C18H17N3O3/c1-12-3-2-10-21-11-15(20-18(12)21)13-4-6-14(7-5-13)19-16(22)8-9-17(23)24/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,23,24)/p-1
InChIKeyHNTNZVRXQLDDKY-UHFFFAOYSA-M
MW322.34 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate

4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate (PubChem CID 6922734) has the molecular formula C18H16N3O3- and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate
PubChem CID6922734
Molecular FormulaC18H16N3O3-
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate
SMILESCc1cccn2cc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc12
InChIInChI=1S/C18H17N3O3/c1-12-3-2-10-21-11-15(20-18(12)21)13-4-6-14(7-5-13)19-16(22)8-9-17(23)24/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,23,24)/p-1
InChIKeyHNTNZVRXQLDDKY-UHFFFAOYSA-M
XLogP1.78
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
3-(2-hydroxyphenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 47038602
2-(4-chlorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 121028746
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122284533
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60518318
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60555643
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 121089714
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 60518372
2,4-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089708
2-hydroxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110014145
4-(dimethylamino)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122284488
3-amino-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119857716

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate?
The IUPAC name of 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate (CID 6922734) is 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate.
What is the SMILES notation for 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate?
The canonical SMILES for 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate is Cc1cccn2cc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc12.
What is the InChIKey of 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate?
The InChIKey is HNTNZVRXQLDDKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N3O3/c1-12-3-2-10-21-11-15(20-18(12)21)13-4-6-14(7-5-13)19-16(22)8-9-17(23)24/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,23,24)/p-1.
What are the key properties of 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate?
4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate has a molecular weight of 322.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate is sourced from PubChem (CID 6922734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).