N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H28F2N6O3 — CID 118037118

IUPACN-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H28F2N6O3/c1-24(2,13-31(3)4)14-35-19-9-20(28-11-16(19)10-27)30-23(34)32-7-5-6-15-8-17(21(25)26)18(12-33)29-22(15)32/h8-9,11-12,21H,5-7,13-14H2,1-4H3,(H,28,30,34)
InChIKeyMADSRQSZSPYHKJ-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.05
Rot. Bonds8

About N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037118) has the molecular formula C24H28F2N6O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118037118
Molecular FormulaC24H28F2N6O3
Molecular Weight486.52 g/mol
Exact Mass486.22
IUPAC NameN-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H28F2N6O3/c1-24(2,13-31(3)4)14-35-19-9-20(28-11-16(19)10-27)30-23(34)32-7-5-6-15-8-17(21(25)26)18(12-33)29-22(15)32/h8-9,11-12,21H,5-7,13-14H2,1-4H3,(H,28,30,34)
InChIKeyMADSRQSZSPYHKJ-UHFFFAOYSA-N
XLogP4.05
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037118) is N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is MADSRQSZSPYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O3/c1-24(2,13-31(3)4)14-35-19-9-20(28-11-16(19)10-27)30-23(34)32-7-5-6-15-8-17(21(25)26)18(12-33)29-22(15)32/h8-9,11-12,21H,5-7,13-14H2,1-4H3,(H,28,30,34).
What are the key properties of N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).