N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C17H16ClN3O — CID 53248894

IUPACN-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(Cl)cc3)c(C)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyRGRDITSFCKXDJR-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.53
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53248894) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53248894
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(Cl)cc3)c(C)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyRGRDITSFCKXDJR-UHFFFAOYSA-N
XLogP3.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 53248894) is N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(Cl)cc3)c(C)nc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RGRDITSFCKXDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-7-8-21-15(9-11)20-12(2)16(21)17(22)19-10-13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53248894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).