N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine

C21H24F3N5O — CID 144615675

IUPACN-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine
SMILESC=C(C)[C@@]1(c2cc(NC=O)ccc2F)CCCC(N)=N1.Cc1cnc(C(F)F)cn1
InChIInChI=1S/C15H18FN3O.C6H6F2N2/c1-10(2)15(7-3-4-14(17)19-15)12-8-11(18-9-20)5-6-13(12)16;1-4-2-10-5(3-9-4)6(7)8/h5-6,8-9H,1,3-4,7H2,2H3,(H2,17,19)(H,18,20);2-3,6H,1H3/t15-;/m1./s1
InChIKeyLNVWPWSXTNCXGL-XFULWGLBSA-N
MW419.45 g/mol
LogP4.43
Rot. Bonds5

About N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine

N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine (PubChem CID 144615675) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine.

Molecular Properties

Compound NameN-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine
PubChem CID144615675
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC NameN-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine
SMILESC=C(C)[C@@]1(c2cc(NC=O)ccc2F)CCCC(N)=N1.Cc1cnc(C(F)F)cn1
InChIInChI=1S/C15H18FN3O.C6H6F2N2/c1-10(2)15(7-3-4-14(17)19-15)12-8-11(18-9-20)5-6-13(12)16;1-4-2-10-5(3-9-4)6(7)8/h5-6,8-9H,1,3-4,7H2,2H3,(H2,17,19)(H,18,20);2-3,6H,1H3/t15-;/m1./s1
InChIKeyLNVWPWSXTNCXGL-XFULWGLBSA-N
XLogP4.43
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 86715840
N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane
CID 169175927
N-[3-(5-amino-1-oxo-1λ4-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]formamide
CID 130282834
N-[3-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123924677
[(4-fluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105302633
2-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(difluoromethyl)pyrazin-2-yl]ethanone
CID 162097486
N-[3-[(6S)-2-amino-6-(difluoromethyl)-5,5-difluoro-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 121317086
N-[3-(2-amino-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 68586906
N-[3-(9-amino-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 140638445
N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 88594174

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine?
The IUPAC name of N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine (CID 144615675) is N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine.
What is the SMILES notation for N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine?
The canonical SMILES for N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine is C=C(C)[C@@]1(c2cc(NC=O)ccc2F)CCCC(N)=N1.Cc1cnc(C(F)F)cn1.
What is the InChIKey of N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine?
The InChIKey is LNVWPWSXTNCXGL-XFULWGLBSA-N. The full InChI is InChI=1S/C15H18FN3O.C6H6F2N2/c1-10(2)15(7-3-4-14(17)19-15)12-8-11(18-9-20)5-6-13(12)16;1-4-2-10-5(3-9-4)6(7)8/h5-6,8-9H,1,3-4,7H2,2H3,(H2,17,19)(H,18,20);2-3,6H,1H3/t15-;/m1./s1.
What are the key properties of N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine?
N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine has a molecular weight of 419.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-6-amino-2-prop-1-en-2-yl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]formamide;2-(difluoromethyl)-5-methylpyrazine is sourced from PubChem (CID 144615675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).