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

C19H19N5O4 — CID 118037054

IUPACN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCCN2C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(17(13)23-16)19(26)22-15-6-5-12(9-20)10-21-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H,21,22,26)
InChIKeyXVHZDATVXMDVNW-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.44
Rot. Bonds5

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

N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037054) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118037054
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1C=O)CCCN2C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(17(13)23-16)19(26)22-15-6-5-12(9-20)10-21-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H,21,22,26)
InChIKeyXVHZDATVXMDVNW-UHFFFAOYSA-N
XLogP2.44
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037054) is N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1C=O)CCCN2C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is XVHZDATVXMDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-27-18(28-2)16-14(11-25)8-13-4-3-7-24(17(13)23-16)19(26)22-15-6-5-12(9-20)10-21-15/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H,21,22,26).
What are the key properties of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).