2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one

C20H25N5O2 — CID 58167485

IUPAC2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
SMILESCOCCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)C)c2c1=O
InChIInChI=1S/C20H25N5O2/c1-13(2)22-19-18-15(6-8-25(20(18)26)9-10-27-4)12-17(24-19)23-16-11-14(3)5-7-21-16/h5-8,11-13H,9-10H2,1-4H3,(H2,21,22,23,24)
InChIKeyMZAXQQAYBZWMRI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.31
Rot. Bonds7

About 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one

2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one (PubChem CID 58167485) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
PubChem CID58167485
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
SMILESCOCCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)C)c2c1=O
InChIInChI=1S/C20H25N5O2/c1-13(2)22-19-18-15(6-8-25(20(18)26)9-10-27-4)12-17(24-19)23-16-11-14(3)5-7-21-16/h5-8,11-13H,9-10H2,1-4H3,(H2,21,22,23,24)
InChIKeyMZAXQQAYBZWMRI-UHFFFAOYSA-N
XLogP3.31
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one (CID 58167485) is 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one is COCCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)C)c2c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one?
The InChIKey is MZAXQQAYBZWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)22-19-18-15(6-8-25(20(18)26)9-10-27-4)12-17(24-19)23-16-11-14(3)5-7-21-16/h5-8,11-13H,9-10H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one?
2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one has a molecular weight of 367.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).