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

C18H19F3N4O3 — CID 118036914

IUPAC7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2
InChIInChI=1S/C18H19F3N4O3/c1-27-16(28-2)13-7-5-11-4-3-9-25(15(11)23-13)17(26)24-14-8-6-12(10-22-14)18(19,20)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,22,24,26)
InChIKeyAHWCHXPAOUOKMJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.77
Rot. Bonds4

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

7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036914) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036914
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2
InChIInChI=1S/C18H19F3N4O3/c1-27-16(28-2)13-7-5-11-4-3-9-25(15(11)23-13)17(26)24-14-8-6-12(10-22-14)18(19,20)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,22,24,26)
InChIKeyAHWCHXPAOUOKMJ-UHFFFAOYSA-N
XLogP3.77
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036914) is 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2.
What is the InChIKey of 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is AHWCHXPAOUOKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-27-16(28-2)13-7-5-11-4-3-9-25(15(11)23-13)17(26)24-14-8-6-12(10-22-14)18(19,20)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,22,24,26).
What are the key properties of 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).