6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H14ClN3O2 — CID 42535023

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-22-13-5-2-11(3-6-13)8-18-16(21)14-10-20-9-12(17)4-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21)
InChIKeyREVAHTGYHVJGRJ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.93
Rot. Bonds4

About 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42535023) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42535023
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-22-13-5-2-11(3-6-13)8-18-16(21)14-10-20-9-12(17)4-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21)
InChIKeyREVAHTGYHVJGRJ-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 42535023) is 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is REVAHTGYHVJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-22-13-5-2-11(3-6-13)8-18-16(21)14-10-20-9-12(17)4-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42535023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).