N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

C16H16N6O — CID 122301229

IUPACN-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3cccnc3)cn2)c1C
InChIInChI=1S/C16H16N6O/c1-10-11(2)22(12(3)20-10)16-18-8-14(9-19-16)21-15(23)13-5-4-6-17-7-13/h4-9H,1-3H3,(H,21,23)
InChIKeyYBGUUKFSOAGGOI-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide

N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (PubChem CID 122301229) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
PubChem CID122301229
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)c3cccnc3)cn2)c1C
InChIInChI=1S/C16H16N6O/c1-10-11(2)22(12(3)20-10)16-18-8-14(9-19-16)21-15(23)13-5-4-6-17-7-13/h4-9H,1-3H3,(H,21,23)
InChIKeyYBGUUKFSOAGGOI-UHFFFAOYSA-N
XLogP2.23
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122301228
2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
5-pyridin-3-yl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122301419
2-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-4-carboxamide
CID 122301434
2-bromo-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301454
3-fluoro-4-methoxy-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301377
2,4-dichloro-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301191
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301225
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide (CID 122301229) is N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is Cc1nc(C)n(-c2ncc(NC(=O)c3cccnc3)cn2)c1C.
What is the InChIKey of N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
The InChIKey is YBGUUKFSOAGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-11(2)22(12(3)20-10)16-18-8-14(9-19-16)21-15(23)13-5-4-6-17-7-13/h4-9H,1-3H3,(H,21,23).
What are the key properties of N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide?
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 122301229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).