6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

C21H18N4O2 — CID 42690071

IUPAC6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc3nc(C(=O)NCc4ccncc4)cn3c2)c1
InChIInChI=1S/C21H18N4O2/c1-27-18-4-2-3-16(11-18)17-5-6-20-24-19(14-25(20)13-17)21(26)23-12-15-7-9-22-10-8-15/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyUXGFDFWJKJMXBI-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.33
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42690071) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42690071
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc3nc(C(=O)NCc4ccncc4)cn3c2)c1
InChIInChI=1S/C21H18N4O2/c1-27-18-4-2-3-16(11-18)17-5-6-20-24-19(14-25(20)13-17)21(26)23-12-15-7-9-22-10-8-15/h2-11,13-14H,12H2,1H3,(H,23,26)
InChIKeyUXGFDFWJKJMXBI-UHFFFAOYSA-N
XLogP3.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 42690071) is 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is COc1cccc(-c2ccc3nc(C(=O)NCc4ccncc4)cn3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UXGFDFWJKJMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-18-4-2-3-16(11-18)17-5-6-20-24-19(14-25(20)13-17)21(26)23-12-15-7-9-22-10-8-15/h2-11,13-14H,12H2,1H3,(H,23,26).
What are the key properties of 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42690071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).