2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid

C19H18N4O3 — CID 139314312

IUPAC2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid
SMILES[H]/N=C(\C(C)=O)c1cc(-c2ccc3nc(C)cn3c2)ccc1NCC(=O)O
InChIInChI=1S/C19H18N4O3/c1-11-9-23-10-14(4-6-17(23)22-11)13-3-5-16(21-8-18(25)26)15(7-13)19(20)12(2)24/h3-7,9-10,20-21H,8H2,1-2H3,(H,25,26)/b20-19+
InChIKeyOAYFYXZQKPOKJA-FMQUCBEESA-N
MW350.38 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid

2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid (PubChem CID 139314312) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid
PubChem CID139314312
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid
SMILES[H]/N=C(\C(C)=O)c1cc(-c2ccc3nc(C)cn3c2)ccc1NCC(=O)O
InChIInChI=1S/C19H18N4O3/c1-11-9-23-10-14(4-6-17(23)22-11)13-3-5-16(21-8-18(25)26)15(7-13)19(20)12(2)24/h3-7,9-10,20-21H,8H2,1-2H3,(H,25,26)/b20-19+
InChIKeyOAYFYXZQKPOKJA-FMQUCBEESA-N
XLogP2.76
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

US10513523, Example 12
CID 122656023
US10513523, Example 32
CID 122656068
2-(8-acetamido-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10596693
2-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N-propylacetamide
CID 10827581
2-(8-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 11792170
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 700080
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylamino]-phenyl-acetic acid
CID 10409549
5-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyrimidine-2,4(1H,3H)-dione
CID 24889346
1-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-4(1H)-one
CID 24890525
6-Imidazo[1,2-a]pyridin-5-yl-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961057
(2S)-2-(4,4-dimethyl-3-oxocyclobut-1-enylamino)-3-(4-(2-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)propanoic acid
CID 24990813
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid?
The IUPAC name of 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid (CID 139314312) is 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid is [H]/N=C(\C(C)=O)c1cc(-c2ccc3nc(C)cn3c2)ccc1NCC(=O)O.
What is the InChIKey of 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid?
The InChIKey is OAYFYXZQKPOKJA-FMQUCBEESA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-9-23-10-14(4-6-17(23)22-11)13-3-5-16(21-8-18(25)26)15(7-13)19(20)12(2)24/h3-7,9-10,20-21H,8H2,1-2H3,(H,25,26)/b20-19+.
What are the key properties of 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid?
2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid has a molecular weight of 350.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-oxopropanimidoyl)anilino]acetic acid is sourced from PubChem (CID 139314312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).