6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide

C21H30N6O2 — CID 174146969

IUPAC6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
SMILESCCC(=O)NCCc1cccc(Nc2nc(N(C)C(C)C)c(C)nc2C(N)=O)c1
InChIInChI=1S/C21H30N6O2/c1-6-17(28)23-11-10-15-8-7-9-16(12-15)25-20-18(19(22)29)24-14(4)21(26-20)27(5)13(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,29)(H,23,28)(H,25,26)
InChIKeyHYXIFAQRCXESLS-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.54
Rot. Bonds9

About 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide

6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide (PubChem CID 174146969) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
PubChem CID174146969
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
SMILESCCC(=O)NCCc1cccc(Nc2nc(N(C)C(C)C)c(C)nc2C(N)=O)c1
InChIInChI=1S/C21H30N6O2/c1-6-17(28)23-11-10-15-8-7-9-16(12-15)25-20-18(19(22)29)24-14(4)21(26-20)27(5)13(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,29)(H,23,28)(H,25,26)
InChIKeyHYXIFAQRCXESLS-UHFFFAOYSA-N
XLogP2.54
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[[(2S)-2-[methyl(prop-2-enoyl)amino]propanoyl]amino]ethyl]anilino]pyrazine-2-carboxamide
CID 167487249
CID 168970573
CID 168970573
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
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
6-ethyl-5-[ethyl(methyl)amino]-3-[3-[2-[[2-(methylamino)acetyl]amino]ethyl]anilino]pyrazine-2-carboxamide;dihydrochloride
CID 168970602
3-[3-[2-[[2-[but-2-ynoyl(methyl)amino]acetyl]amino]ethyl]anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167487406
3-[3-[2-[[(2S)-2-[[(E)-4-bromobut-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-dimethylpyrazine-2-carboxamide
CID 167487307
5-(dimethylamino)-6-ethyl-3-[3-[2-[2-[methyl(prop-2-enoyl)amino]propanoylamino]ethyl]anilino]pyrazine-2-carboxamide
CID 170307735

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide (CID 174146969) is 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide is CCC(=O)NCCc1cccc(Nc2nc(N(C)C(C)C)c(C)nc2C(N)=O)c1.
What is the InChIKey of 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide?
The InChIKey is HYXIFAQRCXESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-6-17(28)23-11-10-15-8-7-9-16(12-15)25-20-18(19(22)29)24-14(4)21(26-20)27(5)13(2)3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,29)(H,23,28)(H,25,26).
What are the key properties of 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide?
6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 174146969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).