8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C35H28F3N7O4 — CID 159723066

IUPAC8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C19H18N4O2.C16H10F3N3O2/c20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23)
InChIKeyNAHASEYFUFMPHN-UHFFFAOYSA-N
MW667.65 g/mol
LogP5.53
Rot. Bonds6

About 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 159723066) has the molecular formula C35H28F3N7O4 and a molecular weight of 667.65 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID159723066
Molecular FormulaC35H28F3N7O4
Molecular Weight667.65 g/mol
Exact Mass667.22
IUPAC Name8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C19H18N4O2.C16H10F3N3O2/c20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23)
InChIKeyNAHASEYFUFMPHN-UHFFFAOYSA-N
XLogP5.53
TPSA159.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.65
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 159723066) is 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1.
What is the InChIKey of 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is NAHASEYFUFMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C16H10F3N3O2/c20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23).
What are the key properties of 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 667.65 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159723066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).