N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide

C14H12N6O2 — CID 122300910

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C14H12N6O2/c1-22-13-11(3-2-4-16-13)12(21)19-10-7-17-14(18-8-10)20-6-5-15-9-20/h2-9H,1H3,(H,19,21)
InChIKeyIWRWKWVUMCWOLR-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.32
Rot. Bonds4

About N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 122300910) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
PubChem CID122300910
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C14H12N6O2/c1-22-13-11(3-2-4-16-13)12(21)19-10-7-17-14(18-8-10)20-6-5-15-9-20/h2-9H,1H3,(H,19,21)
InChIKeyIWRWKWVUMCWOLR-UHFFFAOYSA-N
XLogP1.32
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 122300789
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide (CID 122300910) is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is IWRWKWVUMCWOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-22-13-11(3-2-4-16-13)12(21)19-10-7-17-14(18-8-10)20-6-5-15-9-20/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 122300910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).