N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C18H16N4O3 — CID 5340885

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)c(C)nc2c1
InChIInChI=1S/C18H16N4O3/c1-11-5-6-22-16(7-11)20-12(2)17(22)18(23)21-19-9-13-3-4-14-15(8-13)25-10-24-14/h3-9H,10H2,1-2H3,(H,21,23)/b19-9-
InChIKeyGNMIDVDCWVJHHY-OCKHKDLRSA-N
MW336.35 g/mol
LogP2.44
Rot. Bonds3

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5340885) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5340885
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)c(C)nc2c1
InChIInChI=1S/C18H16N4O3/c1-11-5-6-22-16(7-11)20-12(2)17(22)18(23)21-19-9-13-3-4-14-15(8-13)25-10-24-14/h3-9H,10H2,1-2H3,(H,21,23)/b19-9-
InChIKeyGNMIDVDCWVJHHY-OCKHKDLRSA-N
XLogP2.44
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 5340885) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)c(C)nc2c1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GNMIDVDCWVJHHY-OCKHKDLRSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-5-6-22-16(7-11)20-12(2)17(22)18(23)21-19-9-13-3-4-14-15(8-13)25-10-24-14/h3-9H,10H2,1-2H3,(H,21,23)/b19-9-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5340885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).