2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide

C41H34F3N7O2 — CID 159907387

IUPAC2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NC(C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C22H18N4O.C19H16F3N3O/c1-15-19(12-18-8-5-11-23-21(18)26-15)22(27)25-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17;1-11(13-5-3-7-15(9-13)19(20,21)22)25-18(26)16-10-14-6-4-8-23-17(14)24-12(16)2/h2-13H,14H2,1H3,(H,25,27);3-11H,1-2H3,(H,25,26)
InChIKeyNWTCTCXSECLNSP-UHFFFAOYSA-N
MW713.76 g/mol
LogP8.38
Rot. Bonds7

About 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 159907387) has the molecular formula C41H34F3N7O2 and a molecular weight of 713.76 g/mol. Its IUPAC name is 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID159907387
Molecular FormulaC41H34F3N7O2
Molecular Weight713.76 g/mol
Exact Mass713.27
IUPAC Name2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NC(C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C22H18N4O.C19H16F3N3O/c1-15-19(12-18-8-5-11-23-21(18)26-15)22(27)25-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17;1-11(13-5-3-7-15(9-13)19(20,21)22)25-18(26)16-10-14-6-4-8-23-17(14)24-12(16)2/h2-13H,14H2,1H3,(H,25,27);3-11H,1-2H3,(H,25,26)
InChIKeyNWTCTCXSECLNSP-UHFFFAOYSA-N
XLogP8.38
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.76
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide (CID 159907387) is 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NC(C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is NWTCTCXSECLNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C19H16F3N3O/c1-15-19(12-18-8-5-11-23-21(18)26-15)22(27)25-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17;1-11(13-5-3-7-15(9-13)19(20,21)22)25-18(26)16-10-14-6-4-8-23-17(14)24-12(16)2/h2-13H,14H2,1H3,(H,25,27);3-11H,1-2H3,(H,25,26).
What are the key properties of 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 713.76 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159907387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).