methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate

C19H24N4O2 — CID 59242422

IUPACmethyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(N[C@H](C)CN(C)Cc2ccccc2)cn1
InChIInChI=1S/C19H24N4O2/c1-15(13-23(2)14-16-7-5-4-6-8-16)22-18-12-20-17(11-21-18)9-10-19(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,22)/b10-9+/t15-/m1/s1
InChIKeyUYWQGOACCWFUJU-BOLDSZDNSA-N
MW340.43 g/mol
LogP2.60
Rot. Bonds8

About methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate

methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (PubChem CID 59242422) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
PubChem CID59242422
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(N[C@H](C)CN(C)Cc2ccccc2)cn1
InChIInChI=1S/C19H24N4O2/c1-15(13-23(2)14-16-7-5-4-6-8-16)22-18-12-20-17(11-21-18)9-10-19(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,22)/b10-9+/t15-/m1/s1
InChIKeyUYWQGOACCWFUJU-BOLDSZDNSA-N
XLogP2.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[5-[[(2R)-1-[cyclopentylmethyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 90713256
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CID 59242342
methyl 3-[5-[[(2R)-1-[cyclohexyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 91606424
methyl (E)-3-[5-[[(2R)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242198
methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 91236290
methyl (E)-3-[5-[[(2R)-1-anilino-1-oxopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242357
methyl (E)-3-[5-[2-[bis[(4-fluorophenyl)methyl]amino]ethylamino]pyrazin-2-yl]prop-2-enoate
CID 59242352
methyl (E)-3-[5-[2-(2-chlorophenoxy)ethylamino]pyrazin-2-yl]prop-2-enoate
CID 59242298
methyl 5-[benzyl(methyl)amino]pent-2-enoate
CID 59035143
1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
CID 133435868
N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide
CID 109273461
2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133435926

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (CID 59242422) is methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is COC(=O)/C=C/c1cnc(N[C@H](C)CN(C)Cc2ccccc2)cn1.
What is the InChIKey of methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The InChIKey is UYWQGOACCWFUJU-BOLDSZDNSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(13-23(2)14-16-7-5-4-6-8-16)22-18-12-20-17(11-21-18)9-10-19(24)25-3/h4-12,15H,13-14H2,1-3H3,(H,21,22)/b10-9+/t15-/m1/s1.
What are the key properties of methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate has a molecular weight of 340.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is sourced from PubChem (CID 59242422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).