1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C23H28FN5O — CID 67995955

IUPAC1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C
InChIInChI=1S/C23H28FN5O/c1-16-11-18(13-25-17(16)2)14-26-20-5-7-28(8-6-20)9-10-29-22-12-19(24)15-27-21(22)3-4-23(29)30/h3-4,11-13,15,20,26H,5-10,14H2,1-2H3
InChIKeyGIVNQECXNIRYHQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 67995955) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID67995955
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C
InChIInChI=1S/C23H28FN5O/c1-16-11-18(13-25-17(16)2)14-26-20-5-7-28(8-6-20)9-10-29-22-12-19(24)15-27-21(22)3-4-23(29)30/h3-4,11-13,15,20,26H,5-10,14H2,1-2H3
InChIKeyGIVNQECXNIRYHQ-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 67995955) is 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is Cc1cc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C.
What is the InChIKey of 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is GIVNQECXNIRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-16-11-18(13-25-17(16)2)14-26-20-5-7-28(8-6-20)9-10-29-22-12-19(24)15-27-21(22)3-4-23(29)30/h3-4,11-13,15,20,26H,5-10,14H2,1-2H3.
What are the key properties of 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 409.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 67995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).