3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide

C22H31N5O2 — CID 174053554

IUPAC3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CNC(C)=O)c2)nc1CC(C)C
InChIInChI=1S/C22H31N5O2/c1-6-18-19(10-13(2)3)27-22(20(26-18)21(23)29)25-17-9-7-8-16(11-17)14(4)12-24-15(5)28/h7-9,11,13-14H,6,10,12H2,1-5H3,(H2,23,29)(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyBJCIGZYVIWAOCE-AWEZNQCLSA-N
MW397.52 g/mol
LogP3.32
Rot. Bonds9

About 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide

3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 174053554) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID174053554
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CNC(C)=O)c2)nc1CC(C)C
InChIInChI=1S/C22H31N5O2/c1-6-18-19(10-13(2)3)27-22(20(26-18)21(23)29)25-17-9-7-8-16(11-17)14(4)12-24-15(5)28/h7-9,11,13-14H,6,10,12H2,1-5H3,(H2,23,29)(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyBJCIGZYVIWAOCE-AWEZNQCLSA-N
XLogP3.32
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)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-[(2R)-1-acetamidopropan-2-yl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 174051108
tert-butyl N-[(2S)-2-[3-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]propyl]carbamate
CID 168970522
3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide
CID 168970575
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
N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide
CID 175913200
tert-butyl N-[(2R)-2-[3-[[3-[amino(hydroxy)methyl]-6-chloro-5-ethylpyrazin-2-yl]amino]phenyl]propyl]carbamate
CID 168970557
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
6-ethyl-3-[3-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
3-[3-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 167487465
3-[3-(3-acetamidoprop-1-ynyl)anilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167487020
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide (CID 174053554) is 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2cccc([C@@H](C)CNC(C)=O)c2)nc1CC(C)C.
What is the InChIKey of 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is BJCIGZYVIWAOCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-6-18-19(10-13(2)3)27-22(20(26-18)21(23)29)25-17-9-7-8-16(11-17)14(4)12-24-15(5)28/h7-9,11,13-14H,6,10,12H2,1-5H3,(H2,23,29)(H,24,28)(H,25,27)/t14-/m0/s1.
What are the key properties of 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide?
3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 174053554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).