N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide

C18H15FN4O2 — CID 123137706

IUPACN-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cn2)cc(Oc2cncnc2)c1C
InChIInChI=1S/C18H15FN4O2/c1-11-5-14(23-18(24)16-4-3-13(19)7-22-16)6-17(12(11)2)25-15-8-20-10-21-9-15/h3-10H,1-2H3,(H,23,24)
InChIKeyUTQQVWACTRAITE-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.67
Rot. Bonds4

About N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide

N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 123137706) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
PubChem CID123137706
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cn2)cc(Oc2cncnc2)c1C
InChIInChI=1S/C18H15FN4O2/c1-11-5-14(23-18(24)16-4-3-13(19)7-22-16)6-17(12(11)2)25-15-8-20-10-21-9-15/h3-10H,1-2H3,(H,23,24)
InChIKeyUTQQVWACTRAITE-UHFFFAOYSA-N
XLogP3.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide
CID 123947462
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 58337549
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 58337687

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide (CID 123137706) is N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(F)cn2)cc(Oc2cncnc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is UTQQVWACTRAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-5-14(23-18(24)16-4-3-13(19)7-22-16)6-17(12(11)2)25-15-8-20-10-21-9-15/h3-10H,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide?
N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 123137706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).