2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide

C17H18N6O2 — CID 122301434

IUPAC2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)ccn1
InChIInChI=1S/C17H18N6O2/c1-10-11(2)23(12(3)21-10)17-19-8-14(9-20-17)22-16(24)13-5-6-18-15(7-13)25-4/h5-9H,1-4H3,(H,22,24)
InChIKeyPKRLOCGEQLMCDP-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.24
Rot. Bonds4

About 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide

2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide (PubChem CID 122301434) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
PubChem CID122301434
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)ccn1
InChIInChI=1S/C17H18N6O2/c1-10-11(2)23(12(3)21-10)17-19-8-14(9-20-17)22-16(24)13-5-6-18-15(7-13)25-4/h5-9H,1-4H3,(H,22,24)
InChIKeyPKRLOCGEQLMCDP-UHFFFAOYSA-N
XLogP2.24
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301183
3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301377
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122301229
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-4-carboxamide
CID 122300937
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122301228
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-5-carboxamide
CID 122301289
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301454
2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301191
2-(4-methoxy-3-methylphenyl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301385

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide (CID 122301434) is 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide is COc1cc(C(=O)Nc2cnc(-n3c(C)nc(C)c3C)nc2)ccn1.
What is the InChIKey of 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide?
The InChIKey is PKRLOCGEQLMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-11(2)23(12(3)21-10)17-19-8-14(9-20-17)22-16(24)13-5-6-18-15(7-13)25-4/h5-9H,1-4H3,(H,22,24).
What are the key properties of 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide?
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 122301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).