2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

C19H20N4O4 — CID 118706418

IUPAC2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-12-17(23-8-6-5-7-16(23)21-12)19(24)22-20-11-13-9-14(25-2)18(27-4)15(10-13)26-3/h5-11H,1-4H3,(H,22,24)/b20-11+
InChIKeyYUJKRRMBAXBTAX-RGVLZGJSSA-N
MW368.39 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118706418) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118706418
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-12-17(23-8-6-5-7-16(23)21-12)19(24)22-20-11-13-9-14(25-2)18(27-4)15(10-13)26-3/h5-11H,1-4H3,(H,22,24)/b20-11+
InChIKeyYUJKRRMBAXBTAX-RGVLZGJSSA-N
XLogP2.43
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 675270
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CID 5340453
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CID 135495638
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CID 5430386
CID 5430386
CID 983446
CID 983446
CID 1073190
CID 1073190
CID 1084380
CID 1084380
CID 4271012
CID 4271012
CID 11522983
CID 11522983
CID 52935516
CID 52935516
CID 53248893
CID 53248893
CID 9611125
CID 9611125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (CID 118706418) is 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YUJKRRMBAXBTAX-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-17(23-8-6-5-7-16(23)21-12)19(24)22-20-11-13-9-14(25-2)18(27-4)15(10-13)26-3/h5-11H,1-4H3,(H,22,24)/b20-11+.
What are the key properties of 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118706418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).