N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide

C19H21FN4O2 — CID 154875184

IUPACN-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide
SMILESC=CC(=O)NCc1ccc(CNC(=O)c2nc(C)c(C)nc2C)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-5-17(25)21-9-14-6-7-15(16(20)8-14)10-22-19(26)18-13(4)23-11(2)12(3)24-18/h5-8H,1,9-10H2,2-4H3,(H,21,25)(H,22,26)
InChIKeyOGGZTLIJDMGXNT-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.27
Rot. Bonds6

About N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide

N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide (PubChem CID 154875184) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide
PubChem CID154875184
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide
SMILESC=CC(=O)NCc1ccc(CNC(=O)c2nc(C)c(C)nc2C)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-5-17(25)21-9-14-6-7-15(16(20)8-14)10-22-19(26)18-13(4)23-11(2)12(3)24-18/h5-8H,1,9-10H2,2-4H3,(H,21,25)(H,22,26)
InChIKeyOGGZTLIJDMGXNT-UHFFFAOYSA-N
XLogP2.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 154875315
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801076
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
N-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]prop-2-enamide
CID 166406058
cis-(1S,2S)-2-fluoro-N-[2-fluoro-5-[(prop-2-enoylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 167991621
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475
(E)-N-[(3-fluoro-4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 34486281
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488
N-[[4-[[(2-chloroacetyl)amino]methyl]-2-fluorophenyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 154874876

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide (CID 154875184) is N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide is C=CC(=O)NCc1ccc(CNC(=O)c2nc(C)c(C)nc2C)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide?
The InChIKey is OGGZTLIJDMGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-5-17(25)21-9-14-6-7-15(16(20)8-14)10-22-19(26)18-13(4)23-11(2)12(3)24-18/h5-8H,1,9-10H2,2-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide?
N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[(prop-2-enoylamino)methyl]phenyl]methyl]-3,5,6-trimethylpyrazine-2-carboxamide is sourced from PubChem (CID 154875184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).