3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

C17H15N5O3 — CID 6162171

IUPAC3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc2ccccn2c1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15N5O3/c1-11(13-6-5-7-14(10-13)22(24)25)19-20-17(23)16-12(2)21-9-4-3-8-15(21)18-16/h3-10H,1-2H3,(H,20,23)/b19-11-
InChIKeyPRYNMGINSHEOBS-ODLFYWEKSA-N
MW337.34 g/mol
LogP2.70
Rot. Bonds4

About 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 6162171) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID6162171
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc2ccccn2c1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15N5O3/c1-11(13-6-5-7-14(10-13)22(24)25)19-20-17(23)16-12(2)21-9-4-3-8-15(21)18-16/h3-10H,1-2H3,(H,20,23)/b19-11-
InChIKeyPRYNMGINSHEOBS-ODLFYWEKSA-N
XLogP2.70
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (CID 6162171) is 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is C/C(=N/NC(=O)c1nc2ccccn2c1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PRYNMGINSHEOBS-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11(13-6-5-7-14(10-13)22(24)25)19-20-17(23)16-12(2)21-9-4-3-8-15(21)18-16/h3-10H,1-2H3,(H,20,23)/b19-11-.
What are the key properties of 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 6162171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).