(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide

C20H23F3N4O2 — CID 174811319

IUPAC(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC1=CN=C[C@@](NC(=O)CC2CC2)(C(=O)NC(C)c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C20H23F3N4O2/c1-12-10-24-11-19(26-12,27-17(28)8-14-6-7-14)18(29)25-13(2)15-4-3-5-16(9-15)20(21,22)23/h3-5,9-11,13-14,26H,6-8H2,1-2H3,(H,25,29)(H,27,28)/t13?,19-/m1/s1
InChIKeyNTBGHZWHRSPPCF-GAGCMDECSA-N
MW408.42 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide

(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide (PubChem CID 174811319) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
PubChem CID174811319
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC1=CN=C[C@@](NC(=O)CC2CC2)(C(=O)NC(C)c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C20H23F3N4O2/c1-12-10-24-11-19(26-12,27-17(28)8-14-6-7-14)18(29)25-13(2)15-4-3-5-16(9-15)20(21,22)23/h3-5,9-11,13-14,26H,6-8H2,1-2H3,(H,25,29)(H,27,28)/t13?,19-/m1/s1
InChIKeyNTBGHZWHRSPPCF-GAGCMDECSA-N
XLogP3.03
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-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

2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811271
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
CID 16557098
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24609966
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The IUPAC name of (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide (CID 174811319) is (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide.
What is the SMILES notation for (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The canonical SMILES for (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide is CC1=CN=C[C@@](NC(=O)CC2CC2)(C(=O)NC(C)c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The InChIKey is NTBGHZWHRSPPCF-GAGCMDECSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-12-10-24-11-19(26-12,27-17(28)8-14-6-7-14)18(29)25-13(2)15-4-3-5-16(9-15)20(21,22)23/h3-5,9-11,13-14,26H,6-8H2,1-2H3,(H,25,29)(H,27,28)/t13?,19-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 174811319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).