5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide

C21H28N6O2 — CID 170592846

IUPAC5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
SMILESCNC(C)C(=O)NCCc1cccc(Nc2nc(C3CC3)c(C)nc2C(N)=O)c1
InChIInChI=1S/C21H28N6O2/c1-12-17(15-7-8-15)27-20(18(25-12)19(22)28)26-16-6-4-5-14(11-16)9-10-24-21(29)13(2)23-3/h4-6,11,13,15,23H,7-10H2,1-3H3,(H2,22,28)(H,24,29)(H,26,27)
InChIKeyFRFNQJOCEYAGKA-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.77
Rot. Bonds9

About 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide

5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide (PubChem CID 170592846) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
PubChem CID170592846
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
SMILESCNC(C)C(=O)NCCc1cccc(Nc2nc(C3CC3)c(C)nc2C(N)=O)c1
InChIInChI=1S/C21H28N6O2/c1-12-17(15-7-8-15)27-20(18(25-12)19(22)28)26-16-6-4-5-14(11-16)9-10-24-21(29)13(2)23-3/h4-6,11,13,15,23H,7-10H2,1-3H3,(H2,22,28)(H,24,29)(H,26,27)
InChIKeyFRFNQJOCEYAGKA-UHFFFAOYSA-N
XLogP1.77
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 175868876
5-cyclopropyl-3-[3-[2-[2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
CID 170307729
5-cyclopropyl-6-ethyl-3-[3-[2-[[(2S)-2-[prop-2-enoyl(trideuteriomethyl)amino]propanoyl]amino]ethyl]anilino]pyrazine-2-carboxamide
CID 167487228
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-bromobut-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-dimethylpyrazine-2-carboxamide
CID 167487307
6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
CID 174146969
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
3-[3-[(E,3S,4S,5S)-3-amino-8-(dimethylamino)-4-methyl-5-(methylamino)oct-6-enyl]anilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide
CID 170354805
6-cyclopropyl-2-[3-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5-methylpyridine-3-carboxamide
CID 167486896
6-ethyl-3-[3-(2-formamidoethyl)anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;N-methylpropan-2-amine
CID 167486828
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
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide (CID 170592846) is 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide is CNC(C)C(=O)NCCc1cccc(Nc2nc(C3CC3)c(C)nc2C(N)=O)c1.
What is the InChIKey of 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
The InChIKey is FRFNQJOCEYAGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-12-17(15-7-8-15)27-20(18(25-12)19(22)28)26-16-6-4-5-14(11-16)9-10-24-21(29)13(2)23-3/h4-6,11,13,15,23H,7-10H2,1-3H3,(H2,22,28)(H,24,29)(H,26,27).
What are the key properties of 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide?
5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.77, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 170592846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).