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

C19H21F3N4O4 — CID 118036236

IUPAC7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CO)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(16(11)25-15)18(28)24-14-6-5-13(9-23-14)19(20,21)22/h5-6,8-9,17,27H,3-4,7,10H2,1-2H3,(H,23,24,28)
InChIKeyCSNVSCSBBYRBKA-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.26
Rot. Bonds5

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

7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036236) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036236
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Name7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CO)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(16(11)25-15)18(28)24-14-6-5-13(9-23-14)19(20,21)22/h5-6,8-9,17,27H,3-4,7,10H2,1-2H3,(H,23,24,28)
InChIKeyCSNVSCSBBYRBKA-UHFFFAOYSA-N
XLogP3.26
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036236) is 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1CO)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is CSNVSCSBBYRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-29-17(30-2)15-12(10-27)8-11-4-3-7-26(16(11)25-15)18(28)24-14-6-5-13(9-23-14)19(20,21)22/h5-6,8-9,17,27H,3-4,7,10H2,1-2H3,(H,23,24,28).
What are the key properties of 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-(hydroxymethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).