3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium

C19H21N4O2Y- — CID 58694737

IUPAC3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium
SMILESCCc1cnc2c(C)c(Nc3cc[c-]cc3C)c(C(=O)NOC)cn12.[Y]
InChIInChI=1S/C19H21N4O2.Y/c1-5-14-10-20-18-13(3)17(21-16-9-7-6-8-12(16)2)15(11-23(14)18)19(24)22-25-4;/h7-11,21H,5H2,1-4H3,(H,22,24);/q-1;
InChIKeyVTECEQHQRKVNOG-UHFFFAOYSA-N
MW426.31 g/mol
LogP3.35
Rot. Bonds5

About 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium

3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium (PubChem CID 58694737) has the molecular formula C19H21N4O2Y- and a molecular weight of 426.31 g/mol. Its IUPAC name is 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium.

Molecular Properties

Compound Name3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium
PubChem CID58694737
Molecular FormulaC19H21N4O2Y-
Molecular Weight426.31 g/mol
Exact Mass426.07
IUPAC Name3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium
SMILESCCc1cnc2c(C)c(Nc3cc[c-]cc3C)c(C(=O)NOC)cn12.[Y]
InChIInChI=1S/C19H21N4O2.Y/c1-5-14-10-20-18-13(3)17(21-16-9-7-6-8-12(16)2)15(11-23(14)18)19(24)22-25-4;/h7-11,21H,5H2,1-4H3,(H,22,24);/q-1;
InChIKeyVTECEQHQRKVNOG-UHFFFAOYSA-N
XLogP3.35
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
CID 58694735
3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 21111540
methyl 6-acetyl-5-chloro-4-methyl-3-[(2-methylbenzene-4-id-1-yl)amino]pyridine-2-carboxylate;yttrium
CID 59519396
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 59991464
4-ethyl-N-methoxypyrimidine-5-carboxamide
CID 130991563
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
methyl 5-amino-2-ethyl-3-methylpyridine-4-carboxylate
CID 115019771
2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
CID 58913104
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide
CID 131089874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium?
The IUPAC name of 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium (CID 58694737) is 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium.
What is the SMILES notation for 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium?
The canonical SMILES for 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium is CCc1cnc2c(C)c(Nc3cc[c-]cc3C)c(C(=O)NOC)cn12.[Y].
What is the InChIKey of 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium?
The InChIKey is VTECEQHQRKVNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N4O2.Y/c1-5-14-10-20-18-13(3)17(21-16-9-7-6-8-12(16)2)15(11-23(14)18)19(24)22-25-4;/h7-11,21H,5H2,1-4H3,(H,22,24);/q-1;.
What are the key properties of 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium?
3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium has a molecular weight of 426.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium is sourced from PubChem (CID 58694737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).