2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

C18H18N4O — CID 6282981

IUPAC2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-3-15(14-9-5-4-6-10-14)20-21-18(23)17-13(2)19-16-11-7-8-12-22(16)17/h4-12H,3H2,1-2H3,(H,21,23)/b20-15+
InChIKeyDJTSODWEQCBDMU-HMMYKYKNSA-N
MW306.37 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 6282981) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID6282981
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-3-15(14-9-5-4-6-10-14)20-21-18(23)17-13(2)19-16-11-7-8-12-22(16)17/h4-12H,3H2,1-2H3,(H,21,23)/b20-15+
InChIKeyDJTSODWEQCBDMU-HMMYKYKNSA-N
XLogP3.19
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Zolpidem
CID 5732
AR-H047108
CID 9864291
Etc-159
CID 86280523
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
Imidazo(2,1-a)isoquinoline-2-carbohydrazide
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1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CID 3069971
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (CID 6282981) is 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is CC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DJTSODWEQCBDMU-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-15(14-9-5-4-6-10-14)20-21-18(23)17-13(2)19-16-11-7-8-12-22(16)17/h4-12H,3H2,1-2H3,(H,21,23)/b20-15+.
What are the key properties of 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 6282981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).