3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

C17H13F3N4O — CID 6001335

IUPAC3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C17H13F3N4O/c1-11-15(22-14-4-2-3-9-24(11)14)16(25)23-21-10-12-5-7-13(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10-
InChIKeyYJJHWBQSEMISOH-FBHDLOMBSA-N
MW346.31 g/mol
LogP3.43
Rot. Bonds3

About 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 6001335) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID6001335
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C17H13F3N4O/c1-11-15(22-14-4-2-3-9-24(11)14)16(25)23-21-10-12-5-7-13(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10-
InChIKeyYJJHWBQSEMISOH-FBHDLOMBSA-N
XLogP3.43
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.43
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

N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 2473778
6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 84561480
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 1125389

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (CID 6001335) is 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)nc2ccccn12.
What is the InChIKey of 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YJJHWBQSEMISOH-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-11-15(22-14-4-2-3-9-24(11)14)16(25)23-21-10-12-5-7-13(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10-.
What are the key properties of 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 6001335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).