N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide

C22H18N4O3 — CID 163529655

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ncc(-c3cccc(Oc4ccccc4)c3)[nH]2)ccc1=O
InChIInChI=1S/C22H18N4O3/c1-26-14-16(10-11-20(26)27)24-22(28)21-23-13-19(25-21)15-6-5-9-18(12-15)29-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,28)
InChIKeyDRVFEPXKRXQPGL-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.82
Rot. Bonds5

About N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide (PubChem CID 163529655) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide
PubChem CID163529655
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ncc(-c3cccc(Oc4ccccc4)c3)[nH]2)ccc1=O
InChIInChI=1S/C22H18N4O3/c1-26-14-16(10-11-20(26)27)24-22(28)21-23-13-19(25-21)15-6-5-9-18(12-15)29-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,28)
InChIKeyDRVFEPXKRXQPGL-UHFFFAOYSA-N
XLogP3.82
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide (CID 163529655) is N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide is Cn1cc(NC(=O)c2ncc(-c3cccc(Oc4ccccc4)c3)[nH]2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is DRVFEPXKRXQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-26-14-16(10-11-20(26)27)24-22(28)21-23-13-19(25-21)15-6-5-9-18(12-15)29-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,28).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-5-(3-phenoxyphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 163529655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).