N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

C17H16FN7O2 — CID 143980590

IUPACN-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCNC(=O)CCc1cc(NC(=O)c2cnc(-n3ccnn3)cn2)ccc1F
InChIInChI=1S/C17H16FN7O2/c1-19-16(26)5-2-11-8-12(3-4-13(11)18)23-17(27)14-9-21-15(10-20-14)25-7-6-22-24-25/h3-4,6-10H,2,5H2,1H3,(H,19,26)(H,23,27)
InChIKeyJSNYXTXADSAXOI-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.13
Rot. Bonds6

About N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 143980590) has the molecular formula C17H16FN7O2 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
PubChem CID143980590
Molecular FormulaC17H16FN7O2
Molecular Weight369.36 g/mol
Exact Mass369.13
IUPAC NameN-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCNC(=O)CCc1cc(NC(=O)c2cnc(-n3ccnn3)cn2)ccc1F
InChIInChI=1S/C17H16FN7O2/c1-19-16(26)5-2-11-8-12(3-4-13(11)18)23-17(27)14-9-21-15(10-20-14)25-7-6-22-24-25/h3-4,6-10H,2,5H2,1H3,(H,19,26)(H,23,27)
InChIKeyJSNYXTXADSAXOI-UHFFFAOYSA-N
XLogP1.13
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(triazol-1-yl)pyrazine-2-carboxylate
CID 58449150
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
N-(4-fluoro-3-propylphenyl)-5-methoxypyridine-2-carboxamide
CID 126634300
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 70234907
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
2-amino-6-[2-fluoro-5-[2-oxo-2-[5-(triazol-1-yl)pyrazin-2-yl]ethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449195
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-methylsulfanylpyrazine-2-carboxamide
CID 70235300

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (CID 143980590) is N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is CNC(=O)CCc1cc(NC(=O)c2cnc(-n3ccnn3)cn2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is JSNYXTXADSAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O2/c1-19-16(26)5-2-11-8-12(3-4-13(11)18)23-17(27)14-9-21-15(10-20-14)25-7-6-22-24-25/h3-4,6-10H,2,5H2,1H3,(H,19,26)(H,23,27).
What are the key properties of N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-(methylamino)-3-oxopropyl]phenyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 143980590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).