1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine

C19H20N6O — CID 178122652

IUPAC1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2cnn(C3CCCCO3)c2)c2cc(N)ncc12
InChIInChI=1S/C19H20N6O/c1-21-19-16-11-22-17(20)8-15(16)14(10-23-19)6-5-13-9-24-25(12-13)18-4-2-3-7-26-18/h8-12,18H,2-4,7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDGKFOJSDYLBLKG-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds2

About 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine

1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine (PubChem CID 178122652) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
PubChem CID178122652
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2cnn(C3CCCCO3)c2)c2cc(N)ncc12
InChIInChI=1S/C19H20N6O/c1-21-19-16-11-22-17(20)8-15(16)14(10-23-19)6-5-13-9-24-25(12-13)18-4-2-3-7-26-18/h8-12,18H,2-4,7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDGKFOJSDYLBLKG-UHFFFAOYSA-N
XLogP2.55
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine (CID 178122652) is 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine is CNc1ncc(C#Cc2cnn(C3CCCCO3)c2)c2cc(N)ncc12.
What is the InChIKey of 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine?
The InChIKey is DGKFOJSDYLBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-21-19-16-11-22-17(20)8-15(16)14(10-23-19)6-5-13-9-24-25(12-13)18-4-2-3-7-26-18/h8-12,18H,2-4,7H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine?
1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine has a molecular weight of 348.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 178122652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).