N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C13H17N5O2 — CID 137159809

IUPACN-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILES[H]/N=N/NC(=O)C1=C(C)Nc2c(C)cnc(OCC)c2C1
InChIInChI=1S/C13H17N5O2/c1-4-20-13-10-5-9(12(19)17-18-14)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17,19)
InChIKeyQHJDRMFYUUOEAE-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.09
Rot. Bonds4

About N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 137159809) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID137159809
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILES[H]/N=N/NC(=O)C1=C(C)Nc2c(C)cnc(OCC)c2C1
InChIInChI=1S/C13H17N5O2/c1-4-20-13-10-5-9(12(19)17-18-14)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17,19)
InChIKeyQHJDRMFYUUOEAE-UHFFFAOYSA-N
XLogP2.09
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 137159809) is N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is [H]/N=N/NC(=O)C1=C(C)Nc2c(C)cnc(OCC)c2C1.
What is the InChIKey of N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is QHJDRMFYUUOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-20-13-10-5-9(12(19)17-18-14)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17,19).
What are the key properties of N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 137159809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).