4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C20H18N4O2 — CID 53494264

IUPAC4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccncc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-4-2-3-14(11-15)23-18-12-17(13-5-8-21-9-6-13)24-16-7-10-22-20(25)19(16)18/h2-6,8-9,11-12H,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIQEPGIPLJGRQOD-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds4

About 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494264) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494264
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccncc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-4-2-3-14(11-15)23-18-12-17(13-5-8-21-9-6-13)24-16-7-10-22-20(25)19(16)18/h2-6,8-9,11-12H,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIQEPGIPLJGRQOD-UHFFFAOYSA-N
XLogP3.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494264) is 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3ccncc3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is IQEPGIPLJGRQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-15-4-2-3-14(11-15)23-18-12-17(13-5-8-21-9-6-13)24-16-7-10-22-20(25)19(16)18/h2-6,8-9,11-12H,7,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 346.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).