3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide

C19H16FN5O2 — CID 167986166

IUPAC3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H16FN5O2/c20-14-7-6-13(24-19(27)17-18(21)23-9-8-22-17)11-15(14)25-16(26)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,23)(H,24,27)(H,25,26)
InChIKeyRTIMKTNJPXSDOW-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide

3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide (PubChem CID 167986166) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide
PubChem CID167986166
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H16FN5O2/c20-14-7-6-13(24-19(27)17-18(21)23-9-8-22-17)11-15(14)25-16(26)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,23)(H,24,27)(H,25,26)
InChIKeyRTIMKTNJPXSDOW-UHFFFAOYSA-N
XLogP2.63
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 119289645
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide (CID 167986166) is 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is RTIMKTNJPXSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-14-7-6-13(24-19(27)17-18(21)23-9-8-22-17)11-15(14)25-16(26)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,23)(H,24,27)(H,25,26).
What are the key properties of 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167986166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).