5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide

C18H24N6O2 — CID 175868876

IUPAC5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
SMILESCNC(C)C(=O)NCCc1cccc(Nc2nc(C)cnc2C(N)=O)c1
InChIInChI=1S/C18H24N6O2/c1-11-10-22-15(16(19)25)17(23-11)24-14-6-4-5-13(9-14)7-8-21-18(26)12(2)20-3/h4-6,9-10,12,20H,7-8H2,1-3H3,(H2,19,25)(H,21,26)(H,23,24)
InChIKeyQMJCKDDOHZUPKP-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.89
Rot. Bonds8

About 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide

5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide (PubChem CID 175868876) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
PubChem CID175868876
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
SMILESCNC(C)C(=O)NCCc1cccc(Nc2nc(C)cnc2C(N)=O)c1
InChIInChI=1S/C18H24N6O2/c1-11-10-22-15(16(19)25)17(23-11)24-14-6-4-5-13(9-14)7-8-21-18(26)12(2)20-3/h4-6,9-10,12,20H,7-8H2,1-3H3,(H2,19,25)(H,21,26)(H,23,24)
InChIKeyQMJCKDDOHZUPKP-UHFFFAOYSA-N
XLogP0.89
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 170592846
3-[3-[2-[[(2S)-2-[[(E)-4-bromobut-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-dimethylpyrazine-2-carboxamide
CID 167487307
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
CID 174146969
3-[3-[2-[[(2S)-2-[[(E)-4-(azetidin-1-yl)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-6-ethyl-5-methylpyrazine-2-carboxamide
CID 167487488
5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
CID 167487064
3-[3-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 167487465
5-cyclopropyl-3-[3-[2-[2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
CID 170307729
6-ethyl-3-[3-[2-[[(2S)-2-[methyl-[(E)-4-(methylamino)but-2-enoyl]amino]propanoyl]amino]ethyl]anilino]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 167487320
5-(dimethylamino)-6-ethyl-3-[3-[2-[2-[methyl(prop-2-enoyl)amino]propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 170307735
6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;N-methylpropan-2-amine
CID 167486828
[1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylcarbamoyl]cyclopropyl]-methylcarbamic acid
CID 170354724

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide (CID 175868876) is 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide is CNC(C)C(=O)NCCc1cccc(Nc2nc(C)cnc2C(N)=O)c1.
What is the InChIKey of 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The InChIKey is QMJCKDDOHZUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-10-22-15(16(19)25)17(23-11)24-14-6-4-5-13(9-14)7-8-21-18(26)12(2)20-3/h4-6,9-10,12,20H,7-8H2,1-3H3,(H2,19,25)(H,21,26)(H,23,24).
What are the key properties of 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 175868876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).