4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine

C19H18N6O — CID 170626460

IUPAC4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccc(OC3CNC3)cn2)c2cc(N)ncc12
InChIInChI=1S/C19H18N6O/c1-21-19-17-11-24-18(20)6-16(17)12(7-25-19)2-3-13-4-5-14(10-23-13)26-15-8-22-9-15/h4-7,10-11,15,22H,8-9H2,1H3,(H2,20,24)(H,21,25)
InChIKeyRYCRKYGTZKZTKN-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.40
Rot. Bonds3

About 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine

4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine (PubChem CID 170626460) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
PubChem CID170626460
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccc(OC3CNC3)cn2)c2cc(N)ncc12
InChIInChI=1S/C19H18N6O/c1-21-19-17-11-24-18(20)6-16(17)12(7-25-19)2-3-13-4-5-14(10-23-13)26-15-8-22-9-15/h4-7,10-11,15,22H,8-9H2,1H3,(H2,20,24)(H,21,25)
InChIKeyRYCRKYGTZKZTKN-UHFFFAOYSA-N
XLogP1.40
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
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 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine (CID 170626460) is 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine is CNc1ncc(C#Cc2ccc(OC3CNC3)cn2)c2cc(N)ncc12.
What is the InChIKey of 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine?
The InChIKey is RYCRKYGTZKZTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-21-19-17-11-24-18(20)6-16(17)12(7-25-19)2-3-13-4-5-14(10-23-13)26-15-8-22-9-15/h4-7,10-11,15,22H,8-9H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine?
4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine has a molecular weight of 346.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 170626460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).