N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H32F2N6O5 — CID 118036592

IUPACN-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1cc(NCCOC2CCCCO2)c(C#N)cn1
InChIInChI=1S/C26H32F2N6O5/c1-36-25(37-2)22-18(23(27)28)12-16-6-5-9-34(24(16)33-22)26(35)32-20-13-19(17(14-29)15-31-20)30-8-11-39-21-7-3-4-10-38-21/h12-13,15,21,23,25H,3-11H2,1-2H3,(H2,30,31,32,35)
InChIKeyRSDUQXAVOIVPLG-UHFFFAOYSA-N
MW546.58 g/mol
LogP4.52
Rot. Bonds10

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

N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036592) has the molecular formula C26H32F2N6O5 and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036592
Molecular FormulaC26H32F2N6O5
Molecular Weight546.58 g/mol
Exact Mass546.24
IUPAC NameN-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1cc(NCCOC2CCCCO2)c(C#N)cn1
InChIInChI=1S/C26H32F2N6O5/c1-36-25(37-2)22-18(23(27)28)12-16-6-5-9-34(24(16)33-22)26(35)32-20-13-19(17(14-29)15-31-20)30-8-11-39-21-7-3-4-10-38-21/h12-13,15,21,23,25H,3-11H2,1-2H3,(H2,30,31,32,35)
InChIKeyRSDUQXAVOIVPLG-UHFFFAOYSA-N
XLogP4.52
TPSA130.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.58
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036592) is N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-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-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-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(NCCOC2CCCCO2)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RSDUQXAVOIVPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O5/c1-36-25(37-2)22-18(23(27)28)12-16-6-5-9-34(24(16)33-22)26(35)32-20-13-19(17(14-29)15-31-20)30-8-11-39-21-7-3-4-10-38-21/h12-13,15,21,23,25H,3-11H2,1-2H3,(H2,30,31,32,35).
What are the key properties of N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[2-(oxan-2-yloxy)ethylamino]-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).