N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H24F3N5O5 — CID 118036252

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C22H24F3N5O5/c1-32-7-8-35-16-10-17(27-12-14(16)11-26)28-21(31)30-6-4-5-13-9-15(22(23,24)25)18(29-19(13)30)20(33-2)34-3/h9-10,12,20H,4-8H2,1-3H3,(H,27,28,31)
InChIKeyMLSVIHPPSNKUBS-UHFFFAOYSA-N
MW495.46 g/mol
LogP3.67
Rot. Bonds8

About N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036252) has the molecular formula C22H24F3N5O5 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036252
Molecular FormulaC22H24F3N5O5
Molecular Weight495.46 g/mol
Exact Mass495.17
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C22H24F3N5O5/c1-32-7-8-35-16-10-17(27-12-14(16)11-26)28-21(31)30-6-4-5-13-9-15(22(23,24)25)18(29-19(13)30)20(33-2)34-3/h9-10,12,20H,4-8H2,1-3H3,(H,27,28,31)
InChIKeyMLSVIHPPSNKUBS-UHFFFAOYSA-N
XLogP3.67
TPSA118.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036252) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MLSVIHPPSNKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O5/c1-32-7-8-35-16-10-17(27-12-14(16)11-26)28-21(31)30-6-4-5-13-9-15(22(23,24)25)18(29-19(13)30)20(33-2)34-3/h9-10,12,20H,4-8H2,1-3H3,(H,27,28,31).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).