3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide

C19H27N5O — CID 168970575

IUPAC3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CN)c2)nc1C(C)C
InChIInChI=1S/C19H27N5O/c1-5-15-16(11(2)3)24-19(17(23-15)18(21)25)22-14-8-6-7-13(9-14)12(4)10-20/h6-9,11-12H,5,10,20H2,1-4H3,(H2,21,25)(H,22,24)/t12-/m0/s1
InChIKeyCGMVEGHQGQGFHU-LBPRGKRZSA-N
MW341.46 g/mol
LogP3.07
Rot. Bonds7

About 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide

3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide (PubChem CID 168970575) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide
PubChem CID168970575
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CN)c2)nc1C(C)C
InChIInChI=1S/C19H27N5O/c1-5-15-16(11(2)3)24-19(17(23-15)18(21)25)22-14-8-6-7-13(9-14)12(4)10-20/h6-9,11-12H,5,10,20H2,1-4H3,(H2,21,25)(H,22,24)/t12-/m0/s1
InChIKeyCGMVEGHQGQGFHU-LBPRGKRZSA-N
XLogP3.07
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 174051108
3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide
CID 174053554
tert-butyl N-[(2S)-2-[3-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]propyl]carbamate
CID 168970522
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
6-ethyl-3-[3-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
3-[3-[(2R)-1-[[2-[[(E)-4-cyanobut-2-enoyl]-methylamino]acetyl]amino]propan-2-yl]anilino]-6-ethyl-5-propylpyrazine-2-carboxamide
CID 168970643
tert-butyl N-[(2R)-2-[3-[[3-[amino(hydroxy)methyl]-6-chloro-5-ethylpyrazin-2-yl]amino]phenyl]propyl]carbamate
CID 168970557
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 158947283
6-methyl-5-[methyl(propan-2-yl)amino]-3-[3-[2-(propanoylamino)ethyl]anilino]pyrazine-2-carboxamide
CID 174146969

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide (CID 168970575) is 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CN)c2)nc1C(C)C.
What is the InChIKey of 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is CGMVEGHQGQGFHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-15-16(11(2)3)24-19(17(23-15)18(21)25)22-14-8-6-7-13(9-14)12(4)10-20/h6-9,11-12H,5,10,20H2,1-4H3,(H2,21,25)(H,22,24)/t12-/m0/s1.
What are the key properties of 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide?
3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 168970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).