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

C20H20N6O3 — CID 118036769

IUPACN-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1N1CCOCC1
InChIInChI=1S/C20H20N6O3/c21-11-15-12-22-18(10-17(15)25-6-8-29-9-7-25)24-20(28)26-5-1-2-14-3-4-16(13-27)23-19(14)26/h3-4,10,12-13H,1-2,5-9H2,(H,22,24,28)
InChIKeyLLGVSBQJQDXICA-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.98
Rot. Bonds3

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

N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036769) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036769
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1N1CCOCC1
InChIInChI=1S/C20H20N6O3/c21-11-15-12-22-18(10-17(15)25-6-8-29-9-7-25)24-20(28)26-5-1-2-14-3-4-16(13-27)23-19(14)26/h3-4,10,12-13H,1-2,5-9H2,(H,22,24,28)
InChIKeyLLGVSBQJQDXICA-UHFFFAOYSA-N
XLogP1.98
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036769) is N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1N1CCOCC1.
What is the InChIKey of N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LLGVSBQJQDXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c21-11-15-12-22-18(10-17(15)25-6-8-29-9-7-25)24-20(28)26-5-1-2-14-3-4-16(13-27)23-19(14)26/h3-4,10,12-13H,1-2,5-9H2,(H,22,24,28).
What are the key properties of N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-morpholin-4-yl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).