5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide

C21H31N7O3 — CID 167487064

IUPAC5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
SMILESCCNc1nc(Nc2cc(CCNC(=O)C(C)NC)cc(OC)c2)c(C(N)=O)nc1C
InChIInChI=1S/C21H31N7O3/c1-6-24-19-12(2)26-17(18(22)29)20(28-19)27-15-9-14(10-16(11-15)31-5)7-8-25-21(30)13(3)23-4/h9-11,13,23H,6-8H2,1-5H3,(H2,22,29)(H,25,30)(H2,24,27,28)
InChIKeyQTKHJCTURHBDSB-UHFFFAOYSA-N
MW429.53 g/mol
LogP1.33
Rot. Bonds11

About 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide

5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide (PubChem CID 167487064) has the molecular formula C21H31N7O3 and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
PubChem CID167487064
Molecular FormulaC21H31N7O3
Molecular Weight429.53 g/mol
Exact Mass429.25
IUPAC Name5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide
SMILESCCNc1nc(Nc2cc(CCNC(=O)C(C)NC)cc(OC)c2)c(C(N)=O)nc1C
InChIInChI=1S/C21H31N7O3/c1-6-24-19-12(2)26-17(18(22)29)20(28-19)27-15-9-14(10-16(11-15)31-5)7-8-25-21(30)13(3)23-4/h9-11,13,23H,6-8H2,1-5H3,(H2,22,29)(H,25,30)(H2,24,27,28)
InChIKeyQTKHJCTURHBDSB-UHFFFAOYSA-N
XLogP1.33
TPSA143.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 51.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-6-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 170592846
5-methyl-3-[3-[2-[2-(methylamino)propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 175868876
3-[3-[2-[[(2S)-2-[[(E)-4-bromobut-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-dimethylpyrazine-2-carboxamide
CID 167487307
6-ethyl-3-[3-methoxy-5-[2-[4-[methyl(prop-2-ynoyl)amino]butanoylamino]ethyl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167486844
[(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
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
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
3-[3-(2-acetamidoethyl)-5-fluoroanilino]-5-cyclopropyl-6-ethylpyrazine-2-carboxamide
CID 174053621
3-[3-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 167487465
tert-butyl N-[1-[2-[3-[[3-carbamoyl-5-ethyl-6-(propan-2-ylamino)pyrazin-2-yl]amino]phenyl]ethylamino]-2-hydroxy-1-oxopropan-2-yl]carbamate
CID 170347316
3-[3-[2-[2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoylamino]ethyl]anilino]-6-ethyl-5-[ethyl(methyl)amino]pyrazine-2-carboxamide
CID 170307751

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide (CID 167487064) is 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide is CCNc1nc(Nc2cc(CCNC(=O)C(C)NC)cc(OC)c2)c(C(N)=O)nc1C.
What is the InChIKey of 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide?
The InChIKey is QTKHJCTURHBDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3/c1-6-24-19-12(2)26-17(18(22)29)20(28-19)27-15-9-14(10-16(11-15)31-5)7-8-25-21(30)13(3)23-4/h9-11,13,23H,6-8H2,1-5H3,(H2,22,29)(H,25,30)(H2,24,27,28).
What are the key properties of 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide?
5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 1.33, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-3-[3-methoxy-5-[2-[2-(methylamino)propanoylamino]ethyl]anilino]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 167487064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).