N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide

C97H79F3N16O12S — CID 159469047

IUPACN-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30)
InChIKeyLVOGFEZZOGSQMN-UHFFFAOYSA-N
MW1749.86 g/mol
LogP14.02
Rot. Bonds20

About N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 159469047) has the molecular formula C97H79F3N16O12S and a molecular weight of 1749.86 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID159469047
Molecular FormulaC97H79F3N16O12S
Molecular Weight1749.86 g/mol
Exact Mass1748.57
IUPAC NameN-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30)
InChIKeyLVOGFEZZOGSQMN-UHFFFAOYSA-N
XLogP14.02
TPSA360.12 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.86
LogP ≤ 514.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (CID 159469047) is N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is LVOGFEZZOGSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3.C24H20N4O4S.C24H20N4O3.C24H20N4O2/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32;1-33(31,32)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-31-21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28;1-15-7-8-17(13-26-15)16-4-2-5-19(12-16)28-14-21(24(30)27-18-9-10-18)22(29)20-6-3-11-25-23(20)28/h1-6,9-13,17H,7-8,14H2,(H,31,34);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-7,10-14,17H,8-9H2,1H3,(H,27,30);2-8,11-14,18H,9-10H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 1749.86 g/mol, XLogP of 14.02, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(6-methoxy-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).