N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C23H22F3N5O4 — CID 53232669

IUPACN-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cncc(OCC(O)CO)n1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O4/c24-23(25,26)16-5-1-3-15(9-16)18-7-6-14-4-2-8-31(21(14)28-18)22(34)30-19-10-27-11-20(29-19)35-13-17(33)12-32/h1,3,5-7,9-11,17,32-33H,2,4,8,12-13H2,(H,29,30,34)
InChIKeySSSYKIUUIPAMEL-UHFFFAOYSA-N
MW489.45 g/mol
LogP3.27
Rot. Bonds6

About N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 53232669) has the molecular formula C23H22F3N5O4 and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID53232669
Molecular FormulaC23H22F3N5O4
Molecular Weight489.45 g/mol
Exact Mass489.16
IUPAC NameN-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cncc(OCC(O)CO)n1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O4/c24-23(25,26)16-5-1-3-15(9-16)18-7-6-14-4-2-8-31(21(14)28-18)22(34)30-19-10-27-11-20(29-19)35-13-17(33)12-32/h1,3,5-7,9-11,17,32-33H,2,4,8,12-13H2,(H,29,30,34)
InChIKeySSSYKIUUIPAMEL-UHFFFAOYSA-N
XLogP3.27
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 53232669) is N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is O=C(Nc1cncc(OCC(O)CO)n1)N1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SSSYKIUUIPAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O4/c24-23(25,26)16-5-1-3-15(9-16)18-7-6-14-4-2-8-31(21(14)28-18)22(34)30-19-10-27-11-20(29-19)35-13-17(33)12-32/h1,3,5-7,9-11,17,32-33H,2,4,8,12-13H2,(H,29,30,34).
What are the key properties of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 489.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 53232669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).