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

C19H21F3N4O3 — CID 118036992

IUPAC7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3/c1-11-9-12-5-4-8-26(16(12)25-15(11)17(28-2)29-3)18(27)24-14-7-6-13(10-23-14)19(20,21)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,23,24,27)
InChIKeyHQJKSXLYCRPHMV-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.08
Rot. Bonds4

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

7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036992) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036992
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3/c1-11-9-12-5-4-8-26(16(12)25-15(11)17(28-2)29-3)18(27)24-14-7-6-13(10-23-14)19(20,21)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,23,24,27)
InChIKeyHQJKSXLYCRPHMV-UHFFFAOYSA-N
XLogP4.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.08
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)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036992) is 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1C)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is HQJKSXLYCRPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-11-9-12-5-4-8-26(16(12)25-15(11)17(28-2)29-3)18(27)24-14-7-6-13(10-23-14)19(20,21)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,23,24,27).
What are the key properties of 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).