N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide

C17H14F2IN5O2 — CID 163943894

IUPACN-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ncccc3F)ccc2F)CC(=O)N(I)C(N)=N1
InChIInChI=1S/C17H14F2IN5O2/c1-17(8-13(26)25(20)16(21)24-17)10-7-9(4-5-11(10)18)23-15(27)14-12(19)3-2-6-22-14/h2-7H,8H2,1H3,(H2,21,24)(H,23,27)
InChIKeyRTKLAJFKTYUERM-UHFFFAOYSA-N
MW485.23 g/mol
LogP2.72
Rot. Bonds3

About N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide

N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide (PubChem CID 163943894) has the molecular formula C17H14F2IN5O2 and a molecular weight of 485.23 g/mol. Its IUPAC name is N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
PubChem CID163943894
Molecular FormulaC17H14F2IN5O2
Molecular Weight485.23 g/mol
Exact Mass485.02
IUPAC NameN-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ncccc3F)ccc2F)CC(=O)N(I)C(N)=N1
InChIInChI=1S/C17H14F2IN5O2/c1-17(8-13(26)25(20)16(21)24-17)10-7-9(4-5-11(10)18)23-15(27)14-12(19)3-2-6-22-14/h2-7H,8H2,1H3,(H2,21,24)(H,23,27)
InChIKeyRTKLAJFKTYUERM-UHFFFAOYSA-N
XLogP2.72
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 70235363
N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 75288111
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide
CID 53241346
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
N-[3-[2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
CID 78094700
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-deuteriopyridine-2-carboxamide
CID 88594250
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 70234150
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 70234798
N-[3-[(2S)-6-amino-4-(2-fluoroethylimino)-2,5,5-trimethyl-3H-pyridin-2-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144715667
(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide (CID 163943894) is N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ncccc3F)ccc2F)CC(=O)N(I)C(N)=N1.
What is the InChIKey of N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is RTKLAJFKTYUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2IN5O2/c1-17(8-13(26)25(20)16(21)24-17)10-7-9(4-5-11(10)18)23-15(27)14-12(19)3-2-6-22-14/h2-7H,8H2,1H3,(H2,21,24)(H,23,27).
What are the key properties of N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide?
N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 485.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 163943894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).