N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide

C17H17F3N4O — CID 172543136

IUPACN-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1
InChIInChI=1S/C17H17F3N4O/c1-11(25)22-9-13-10-24(15-3-2-8-21-16(15)23-13)14-6-4-12(5-7-14)17(18,19)20/h2-8,13H,9-10H2,1H3,(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyXYJRFTLGQMZSLF-ZDUSSCGKSA-N
MW350.34 g/mol
LogP3.17
Rot. Bonds3

About N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide

N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide (PubChem CID 172543136) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide
PubChem CID172543136
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1
InChIInChI=1S/C17H17F3N4O/c1-11(25)22-9-13-10-24(15-3-2-8-21-16(15)23-13)14-6-4-12(5-7-14)17(18,19)20/h2-8,13H,9-10H2,1H3,(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyXYJRFTLGQMZSLF-ZDUSSCGKSA-N
XLogP3.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine
CID 172543034
N-[[4-methyl-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-3-yl]methyl]prop-2-enamide
CID 172543167
N-[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]acetamide
CID 172543149
N-[[6-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]acetamide
CID 172543228
[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl] N-methylcarbamate
CID 172543309
1-methyl-3-[(4R,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]urea
CID 172543072
cyclopropyl-[8-[4-(trifluoromethyl)phenyl]-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-12-yl]methanone
CID 172543236
N-[[1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-2-yl]methyl]prop-2-enamide
CID 172543276
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162170581
N-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
N-[2-[2-[(1-methylpiperidin-4-yl)amino]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]ethyl]acetamide
CID 67871357
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide (CID 172543136) is N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1.
What is the InChIKey of N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide?
The InChIKey is XYJRFTLGQMZSLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-11(25)22-9-13-10-24(15-3-2-8-21-16(15)23-13)14-6-4-12(5-7-14)17(18,19)20/h2-8,13H,9-10H2,1H3,(H,21,23)(H,22,25)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide?
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide is sourced from PubChem (CID 172543136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).