N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H31F2N7O4 — CID 118036703

IUPACN-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1cc(NCC2CN(C)CCO2)c(C#N)cn1
InChIInChI=1S/C25H31F2N7O4/c1-33-7-8-38-17(14-33)13-29-19-10-20(30-12-16(19)11-28)31-25(35)34-6-4-5-15-9-18(22(26)27)21(32-23(15)34)24(36-2)37-3/h9-10,12,17,22,24H,4-8,13-14H2,1-3H3,(H2,29,30,31,35)
InChIKeyIRRPTMNCGSLYNI-UHFFFAOYSA-N
MW531.56 g/mol
LogP3.30
Rot. Bonds8

About N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036703) has the molecular formula C25H31F2N7O4 and a molecular weight of 531.56 g/mol. Its IUPAC name is N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036703
Molecular FormulaC25H31F2N7O4
Molecular Weight531.56 g/mol
Exact Mass531.24
IUPAC NameN-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1cc(NCC2CN(C)CCO2)c(C#N)cn1
InChIInChI=1S/C25H31F2N7O4/c1-33-7-8-38-17(14-33)13-29-19-10-20(30-12-16(19)11-28)31-25(35)34-6-4-5-15-9-18(22(26)27)21(32-23(15)34)24(36-2)37-3/h9-10,12,17,22,24H,4-8,13-14H2,1-3H3,(H2,29,30,31,35)
InChIKeyIRRPTMNCGSLYNI-UHFFFAOYSA-N
XLogP3.30
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

US20260028365, Example 640
CID 170730235
US20260028365, Example 642
CID 170730326
US20260028365, Example 647
CID 170730370
US20260028365, Example 641
CID 170730433
US20260028365, Example 643
CID 170730675
US20260028365, Example 644
CID 170730899
1,8-Naphthyridine-1(2H)-carboxamide, N-[5-cyano-4-[(2-methoxyethyl)amino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-6-[(4-methyl-2-oxo-1-piperazinyl)methyl]-
CID 118037008
6-[[2-(2-Methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-yl]amino]pyridine-3-carbonitrile
CID 57561043
2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde
CID 87265072
7-(dimethoxymethyl)-6-(hydroxymethyl)-N-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036236
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036252
N-[5-cyano-4-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypyridin-2-yl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036517

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036703) is N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1cc(NCC2CN(C)CCO2)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IRRPTMNCGSLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N7O4/c1-33-7-8-38-17(14-33)13-29-19-10-20(30-12-16(19)11-28)31-25(35)34-6-4-5-15-9-18(22(26)27)21(32-23(15)34)24(36-2)37-3/h9-10,12,17,22,24H,4-8,13-14H2,1-3H3,(H2,29,30,31,35).
What are the key properties of N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[(4-methylmorpholin-2-yl)methylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).