N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

C71H61Cl2FN10O8 — CID 160853592

IUPACN-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOCc1ccc(CCn2ccc3nc(C)c(C(=O)Nc4ccc(F)cc4)cc3c2=O)cc1.Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1.Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C26H24FN3O3.C23H19ClN4O2.C22H18ClN3O3/c1-17-22(25(31)29-21-9-7-20(27)8-10-21)15-23-24(28-17)12-14-30(26(23)32)13-11-18-3-5-19(6-4-18)16-33-2;1-15-19(22(29)26-13-16-4-6-18(24)7-5-16)11-20-21(27-15)8-10-28(23(20)30)14-17-3-2-9-25-12-17;1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31);2-12H,13-14H2,1H3,(H,26,29);2-11H,12-13H2,1H3,(H,24,27)
InChIKeySJOSBFMFJIDISH-UHFFFAOYSA-N
MW1272.23 g/mol
LogP12.15
Rot. Bonds17

About N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 160853592) has the molecular formula C71H61Cl2FN10O8 and a molecular weight of 1272.23 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID160853592
Molecular FormulaC71H61Cl2FN10O8
Molecular Weight1272.23 g/mol
Exact Mass1270.40
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOCc1ccc(CCn2ccc3nc(C)c(C(=O)Nc4ccc(F)cc4)cc3c2=O)cc1.Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1.Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C26H24FN3O3.C23H19ClN4O2.C22H18ClN3O3/c1-17-22(25(31)29-21-9-7-20(27)8-10-21)15-23-24(28-17)12-14-30(26(23)32)13-11-18-3-5-19(6-4-18)16-33-2;1-15-19(22(29)26-13-16-4-6-18(24)7-5-16)11-20-21(27-15)8-10-28(23(20)30)14-17-3-2-9-25-12-17;1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31);2-12H,13-14H2,1H3,(H,26,29);2-11H,12-13H2,1H3,(H,24,27)
InChIKeySJOSBFMFJIDISH-UHFFFAOYSA-N
XLogP12.15
TPSA227.23 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.23
LogP ≤ 512.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 20946798
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339903
6-[(4-chlorophenyl)methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248867
6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248853
6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248733
6-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 170306689
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248825
6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947021

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (CID 160853592) is N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is COCc1ccc(CCn2ccc3nc(C)c(C(=O)Nc4ccc(F)cc4)cc3c2=O)cc1.Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1.Cc1nc2ccn(Cc3ccco3)c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is SJOSBFMFJIDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3.C23H19ClN4O2.C22H18ClN3O3/c1-17-22(25(31)29-21-9-7-20(27)8-10-21)15-23-24(28-17)12-14-30(26(23)32)13-11-18-3-5-19(6-4-18)16-33-2;1-15-19(22(29)26-13-16-4-6-18(24)7-5-16)11-20-21(27-15)8-10-28(23(20)30)14-17-3-2-9-25-12-17;1-14-18(21(27)24-12-15-4-6-16(23)7-5-15)11-19-20(25-14)8-9-26(22(19)28)13-17-3-2-10-29-17/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,31);2-12H,13-14H2,1H3,(H,26,29);2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 1272.23 g/mol, XLogP of 12.15, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide;N-(4-fluorophenyl)-6-[2-[4-(methoxymethyl)phenyl]ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 160853592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).