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

C17H12N6O2 — CID 118037038

IUPACN-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C#N
InChIInChI=1S/C17H12N6O2/c18-7-12-6-15(20-9-13(12)8-19)22-17(25)23-5-1-2-11-3-4-14(10-24)21-16(11)23/h3-4,6,9-10H,1-2,5H2,(H,20,22,25)
InChIKeyQSEXTDMSEJBZCD-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.02
Rot. Bonds2

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

N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037038) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118037038
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC NameN-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C#N
InChIInChI=1S/C17H12N6O2/c18-7-12-6-15(20-9-13(12)8-19)22-17(25)23-5-1-2-11-3-4-14(10-24)21-16(11)23/h3-4,6,9-10H,1-2,5H2,(H,20,22,25)
InChIKeyQSEXTDMSEJBZCD-UHFFFAOYSA-N
XLogP2.02
TPSA122.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037038) is N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C#N.
What is the InChIKey of N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QSEXTDMSEJBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c18-7-12-6-15(20-9-13(12)8-19)22-17(25)23-5-1-2-11-3-4-14(10-24)21-16(11)23/h3-4,6,9-10H,1-2,5H2,(H,20,22,25).
What are the key properties of N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).