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

C19H19F2N5O3 — CID 118036858

IUPACN-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C19H19F2N5O3/c1-28-18(29-2)15-13(16(20)21)8-12-4-3-7-26(17(12)25-15)19(27)24-14-6-5-11(9-22)10-23-14/h5-6,8,10,16,18H,3-4,7H2,1-2H3,(H,23,24,27)
InChIKeyLXVNWPCPXHABGP-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.56
Rot. Bonds5

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

N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036858) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036858
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC NameN-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C19H19F2N5O3/c1-28-18(29-2)15-13(16(20)21)8-12-4-3-7-26(17(12)25-15)19(27)24-14-6-5-11(9-22)10-23-14/h5-6,8,10,16,18H,3-4,7H2,1-2H3,(H,23,24,27)
InChIKeyLXVNWPCPXHABGP-UHFFFAOYSA-N
XLogP3.56
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036858) is N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1C(F)F)CCCN2C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LXVNWPCPXHABGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c1-28-18(29-2)15-13(16(20)21)8-12-4-3-7-26(17(12)25-15)19(27)24-14-6-5-11(9-22)10-23-14/h5-6,8,10,16,18H,3-4,7H2,1-2H3,(H,23,24,27).
What are the key properties of N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).