6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H20N6O3 — CID 118036488

IUPAC6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C20H20N6O3/c1-13(28)25(2)11-16-8-15-4-3-7-26(19(15)23-17(16)12-27)20(29)24-18-6-5-14(9-21)10-22-18/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,22,24,29)
InChIKeyWWXYIWRCALKTTD-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.12
Rot. Bonds4

About 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036488) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036488
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C20H20N6O3/c1-13(28)25(2)11-16-8-15-4-3-7-26(19(15)23-17(16)12-27)20(29)24-18-6-5-14(9-21)10-22-18/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,22,24,29)
InChIKeyWWXYIWRCALKTTD-UHFFFAOYSA-N
XLogP2.12
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.12
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 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036488) is 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2.
What is the InChIKey of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is WWXYIWRCALKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-13(28)25(2)11-16-8-15-4-3-7-26(19(15)23-17(16)12-27)20(29)24-18-6-5-14(9-21)10-22-18/h5-6,8,10,12H,3-4,7,11H2,1-2H3,(H,22,24,29).
What are the key properties of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).