6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride

C21H33Cl2N7O2 — CID 168970602

IUPAC6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCNC(=O)CNC)c2)nc1N(C)CC.Cl.Cl
InChIInChI=1S/C21H31N7O2.2ClH/c1-5-16-21(28(4)6-2)27-20(18(26-16)19(22)30)25-15-9-7-8-14(12-15)10-11-24-17(29)13-23-3;;/h7-9,12,23H,5-6,10-11,13H2,1-4H3,(H2,22,30)(H,24,29)(H,25,27);2*1H
InChIKeyQMQYVJDFGJNJIE-UHFFFAOYSA-N
MW486.45 g/mol
LogP2.06
Rot. Bonds11

About 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride

6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride (PubChem CID 168970602) has the molecular formula C21H33Cl2N7O2 and a molecular weight of 486.45 g/mol. Its IUPAC name is 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
PubChem CID168970602
Molecular FormulaC21H33Cl2N7O2
Molecular Weight486.45 g/mol
Exact Mass485.21
IUPAC Name6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCNC(=O)CNC)c2)nc1N(C)CC.Cl.Cl
InChIInChI=1S/C21H31N7O2.2ClH/c1-5-16-21(28(4)6-2)27-20(18(26-16)19(22)30)25-15-9-7-8-14(12-15)10-11-24-17(29)13-23-3;;/h7-9,12,23H,5-6,10-11,13H2,1-4H3,(H2,22,30)(H,24,29)(H,25,27);2*1H
InChIKeyQMQYVJDFGJNJIE-UHFFFAOYSA-N
XLogP2.06
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[2-[[2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]acetyl]amino]ethyl]anilino]-6-ethyl-5-[ethyl(methyl)amino]pyrazine-2-carboxamide
CID 167487003
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
3-[3-[2-[[2-[but-2-ynoyl(methyl)amino]acetyl]amino]ethyl]anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167487406
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803
6-ethyl-3-[3-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
6-ethyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-[[2-[methyl(prop-2-enoyl)amino]acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide
CID 167486906
6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
CID 174146969
5-(dimethylamino)-6-ethyl-3-[3-[2-[2-[methyl(prop-2-enoyl)amino]propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 170307735
6-ethyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-[[(2S)-2-[methyl(prop-2-enoyl)amino]propanoyl]amino]ethyl]anilino]pyrazine-2-carboxamide
CID 167487249
[(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-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-6-ethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487298
3-[3-[2-[[(2R)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-6-ethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487491

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride (CID 168970602) is 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride is CCc1nc(C(N)=O)c(Nc2cccc(CCNC(=O)CNC)c2)nc1N(C)CC.Cl.Cl.
What is the InChIKey of 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride?
The InChIKey is QMQYVJDFGJNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O2.2ClH/c1-5-16-21(28(4)6-2)27-20(18(26-16)19(22)30)25-15-9-7-8-14(12-15)10-11-24-17(29)13-23-3;;/h7-9,12,23H,5-6,10-11,13H2,1-4H3,(H2,22,30)(H,24,29)(H,25,27);2*1H.
What are the key properties of 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride?
6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride has a molecular weight of 486.45 g/mol, XLogP of 2.06, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 168970602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).