N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide

C14H12N6O2 — CID 122300937

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccn1
InChIInChI=1S/C14H12N6O2/c1-22-12-6-10(2-3-16-12)13(21)19-11-7-17-14(18-8-11)20-5-4-15-9-20/h2-9H,1H3,(H,19,21)
InChIKeyBUAJJXTWMAOIKZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.32
Rot. Bonds4

About N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide (PubChem CID 122300937) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
PubChem CID122300937
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccn1
InChIInChI=1S/C14H12N6O2/c1-22-12-6-10(2-3-16-12)13(21)19-11-7-17-14(18-8-11)20-5-4-15-9-20/h2-9H,1H3,(H,19,21)
InChIKeyBUAJJXTWMAOIKZ-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-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
CID 122301434
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
CID 122300920
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122300861
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-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide (CID 122300937) is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccn1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide?
The InChIKey is BUAJJXTWMAOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-22-12-6-10(2-3-16-12)13(21)19-11-7-17-14(18-8-11)20-5-4-15-9-20/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-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-4-carboxamide is sourced from PubChem (CID 122300937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).