3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide

C22H22N6O3 — CID 170677854

IUPAC3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide
SMILESCNc1ncc(C#Cc2ccc(OC)cn2)c2cc(NC(=O)N3CC(OC)C3)ncc12
InChIInChI=1S/C22H22N6O3/c1-23-21-19-11-25-20(27-22(29)28-12-17(13-28)31-3)8-18(19)14(9-26-21)4-5-15-6-7-16(30-2)10-24-15/h6-11,17H,12-13H2,1-3H3,(H,23,26)(H,25,27,29)
InChIKeyHOWUHGMAUOJXQP-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.34
Rot. Bonds4

About 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide

3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide (PubChem CID 170677854) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide
PubChem CID170677854
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide
SMILESCNc1ncc(C#Cc2ccc(OC)cn2)c2cc(NC(=O)N3CC(OC)C3)ncc12
InChIInChI=1S/C22H22N6O3/c1-23-21-19-11-25-20(27-22(29)28-12-17(13-28)31-3)8-18(19)14(9-26-21)4-5-15-6-7-16(30-2)10-24-15/h6-11,17H,12-13H2,1-3H3,(H,23,26)(H,25,27,29)
InChIKeyHOWUHGMAUOJXQP-UHFFFAOYSA-N
XLogP2.34
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.34
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 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide (CID 170677854) is 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide is CNc1ncc(C#Cc2ccc(OC)cn2)c2cc(NC(=O)N3CC(OC)C3)ncc12.
What is the InChIKey of 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide?
The InChIKey is HOWUHGMAUOJXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-23-21-19-11-25-20(27-22(29)28-12-17(13-28)31-3)8-18(19)14(9-26-21)4-5-15-6-7-16(30-2)10-24-15/h6-11,17H,12-13H2,1-3H3,(H,23,26)(H,25,27,29).
What are the key properties of 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide?
3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 170677854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).