6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C25H25N5O2 — CID 58094107

IUPAC6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1
InChIInChI=1S/C25H25N5O2/c1-32-22-7-4-19(15-28-22)21-14-18-10-13-27-25(31)23(18)24(30-21)29-20-5-2-16(3-6-20)17-8-11-26-12-9-17/h2-7,10,13-15,17,26H,8-9,11-12H2,1H3,(H,27,31)(H,29,30)
InChIKeyJPHAEHBQZZKEEC-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.20
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094107) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58094107
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1
InChIInChI=1S/C25H25N5O2/c1-32-22-7-4-19(15-28-22)21-14-18-10-13-27-25(31)23(18)24(30-21)29-20-5-2-16(3-6-20)17-8-11-26-12-9-17/h2-7,10,13-15,17,26H,8-9,11-12H2,1H3,(H,27,31)(H,29,30)
InChIKeyJPHAEHBQZZKEEC-UHFFFAOYSA-N
XLogP4.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094107) is 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is COc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is JPHAEHBQZZKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-22-7-4-19(15-28-22)21-14-18-10-13-27-25(31)23(18)24(30-21)29-20-5-2-16(3-6-20)17-8-11-26-12-9-17/h2-7,10,13-15,17,26H,8-9,11-12H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 427.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).