3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide

C17H24N6O — CID 167486803

IUPAC3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1N(C)C
InChIInChI=1S/C17H24N6O/c1-4-13-17(23(2)3)22-16(14(21-13)15(19)24)20-12-7-5-6-11(10-12)8-9-18/h5-7,10H,4,8-9,18H2,1-3H3,(H2,19,24)(H,20,22)
InChIKeyXBTFVOUGKUGORJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.45
Rot. Bonds7

About 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide

3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide (PubChem CID 167486803) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
PubChem CID167486803
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1N(C)C
InChIInChI=1S/C17H24N6O/c1-4-13-17(23(2)3)22-16(14(21-13)15(19)24)20-12-7-5-6-11(10-12)8-9-18/h5-7,10H,4,8-9,18H2,1-3H3,(H2,19,24)(H,20,22)
InChIKeyXBTFVOUGKUGORJ-UHFFFAOYSA-N
XLogP1.45
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
3-[3-[2-[[2-[but-2-ynoyl(methyl)amino]acetyl]amino]ethyl]anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167487406
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-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
CID 168970602
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
3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487253
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
[(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-[[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-[[(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-[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 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide?
The IUPAC name of 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide (CID 167486803) is 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cccc(CCN)c2)nc1N(C)C.
What is the InChIKey of 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide?
The InChIKey is XBTFVOUGKUGORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-13-17(23(2)3)22-16(14(21-13)15(19)24)20-12-7-5-6-11(10-12)8-9-18/h5-7,10H,4,8-9,18H2,1-3H3,(H2,19,24)(H,20,22).
What are the key properties of 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide?
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 167486803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).