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

C15H12N6O2 — CID 118036466

IUPACN-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C15H12N6O2/c16-6-10-7-17-14(18-8-10)20-15(23)21-5-1-2-11-3-4-12(9-22)19-13(11)21/h3-4,7-9H,1-2,5H2,(H,17,18,20,23)
InChIKeyILTDXKXOGRYYPI-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.54
Rot. Bonds2

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

N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036466) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036466
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC NameN-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1
InChIInChI=1S/C15H12N6O2/c16-6-10-7-17-14(18-8-10)20-15(23)21-5-1-2-11-3-4-12(9-22)19-13(11)21/h3-4,7-9H,1-2,5H2,(H,17,18,20,23)
InChIKeyILTDXKXOGRYYPI-UHFFFAOYSA-N
XLogP1.54
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.54
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-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036466) is N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1.
What is the InChIKey of N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is ILTDXKXOGRYYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c16-6-10-7-17-14(18-8-10)20-15(23)21-5-1-2-11-3-4-12(9-22)19-13(11)21/h3-4,7-9H,1-2,5H2,(H,17,18,20,23).
What are the key properties of N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopyrimidin-2-yl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).