pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide

C38H32F6N8O3 — CID 158156020

IUPACpyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide
SMILESCC(N)c1cccc(-c2cccc(C(F)(F)F)c2)n1.CC(NC(=O)c1cnccn1)c1cccc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)c1cnccn1
InChIInChI=1S/C19H15F3N4O.C14H13F3N2.C5H4N2O2/c1-12(25-18(27)17-11-23-8-9-24-17)15-6-3-7-16(26-15)13-4-2-5-14(10-13)19(20,21)22;1-9(18)12-6-3-7-13(19-12)10-4-2-5-11(8-10)14(15,16)17;8-5(9)4-3-6-1-2-7-4/h2-12H,1H3,(H,25,27);2-9H,18H2,1H3;1-3H,(H,8,9)
InChIKeyFVRRYBZANSZREY-UHFFFAOYSA-N
MW762.72 g/mol
LogP8.01
Rot. Bonds7

About pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide

pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide (PubChem CID 158156020) has the molecular formula C38H32F6N8O3 and a molecular weight of 762.72 g/mol. Its IUPAC name is pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Namepyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide
PubChem CID158156020
Molecular FormulaC38H32F6N8O3
Molecular Weight762.72 g/mol
Exact Mass762.25
IUPAC Namepyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide
SMILESCC(N)c1cccc(-c2cccc(C(F)(F)F)c2)n1.CC(NC(=O)c1cnccn1)c1cccc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)c1cnccn1
InChIInChI=1S/C19H15F3N4O.C14H13F3N2.C5H4N2O2/c1-12(25-18(27)17-11-23-8-9-24-17)15-6-3-7-16(26-15)13-4-2-5-14(10-13)19(20,21)22;1-9(18)12-6-3-7-13(19-12)10-4-2-5-11(8-10)14(15,16)17;8-5(9)4-3-6-1-2-7-4/h2-12H,1H3,(H,25,27);2-9H,18H2,1H3;1-3H,(H,8,9)
InChIKeyFVRRYBZANSZREY-UHFFFAOYSA-N
XLogP8.01
TPSA169.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.72
LogP ≤ 58.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]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

N-[4-[2-[3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide
CID 89463588
N-[4-[1-[3-[[5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl]ethylidene]cyclohexyl]pyrazine-2-carboxamide
CID 117925734
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
pyrazine-2-carboxylic acid;2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
CID 161650441
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;5-[[2-[(2S,5S)-3,3-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164958452
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-2-methylpyridine
CID 165003185
N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171930437
5-[[2-Methyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685456
quinoxaline-2-carboxylic acid;N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 162622828
5-[[2,2,2-Trifluoro-1-(3-methylphenyl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 166231905
5-[[(3-Fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167971088
6-[3-Fluoro-5-({[3-(3-pyridinylamino)propyl]amino}carbonyl)phenyl]-2-pyrazinecarboxylic acid
CID 170502760

Frequently Asked Questions

What is the IUPAC name of pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide (CID 158156020) is pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide is CC(N)c1cccc(-c2cccc(C(F)(F)F)c2)n1.CC(NC(=O)c1cnccn1)c1cccc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)c1cnccn1.
What is the InChIKey of pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is FVRRYBZANSZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O.C14H13F3N2.C5H4N2O2/c1-12(25-18(27)17-11-23-8-9-24-17)15-6-3-7-16(26-15)13-4-2-5-14(10-13)19(20,21)22;1-9(18)12-6-3-7-13(19-12)10-4-2-5-11(8-10)14(15,16)17;8-5(9)4-3-6-1-2-7-4/h2-12H,1H3,(H,25,27);2-9H,18H2,1H3;1-3H,(H,8,9).
What are the key properties of pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide?
pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 762.72 g/mol, XLogP of 8.01, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2-carboxylic acid;1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanamine;N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 158156020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).