N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide

C17H22F3N5O2 — CID 174836404

IUPACN-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NC(C)c2ccnc(OCC(F)(F)F)c2)N1
InChIInChI=1S/C17H22F3N5O2/c1-4-14(26)23-13-8-21-9-16(3,25-13)24-11(2)12-5-6-22-15(7-12)27-10-17(18,19)20/h5-9,11,24-25H,4,10H2,1-3H3,(H,23,26)
InChIKeyJIALWVUIDFEDPN-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.39
Rot. Bonds7

About N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide

N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide (PubChem CID 174836404) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide
PubChem CID174836404
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC NameN-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NC(C)c2ccnc(OCC(F)(F)F)c2)N1
InChIInChI=1S/C17H22F3N5O2/c1-4-14(26)23-13-8-21-9-16(3,25-13)24-11(2)12-5-6-22-15(7-12)27-10-17(18,19)20/h5-9,11,24-25H,4,10H2,1-3H3,(H,23,26)
InChIKeyJIALWVUIDFEDPN-UHFFFAOYSA-N
XLogP2.39
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide 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-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide
CID 174811373
N-[6-methyl-6-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methylamino]-1H-pyrazin-2-yl]propanamide
CID 174811471
[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
CID 168892458
2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
tert-butyl N-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 178036066
1-propan-2-yl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050187
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
CID 178036037
N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The IUPAC name of N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide (CID 174836404) is N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide.
What is the SMILES notation for N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The canonical SMILES for N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide is CCC(=O)NC1=CN=CC(C)(NC(C)c2ccnc(OCC(F)(F)F)c2)N1.
What is the InChIKey of N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The InChIKey is JIALWVUIDFEDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-4-14(26)23-13-8-21-9-16(3,25-13)24-11(2)12-5-6-22-15(7-12)27-10-17(18,19)20/h5-9,11,24-25H,4,10H2,1-3H3,(H,23,26).
What are the key properties of N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide is sourced from PubChem (CID 174836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).