4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one

C25H24N6O — CID 72699635

IUPAC4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCNC(=O)C5)ncc34)cc2)ccn1
InChIInChI=1S/C25H24N6O/c1-17-12-20(6-8-26-17)19-4-2-18(3-5-19)14-30-25-22-15-29-23(13-21(22)7-9-28-25)31-11-10-27-24(32)16-31/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,27,32)(H,28,30)
InChIKeyHRRQLWOCKZREKU-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.55
Rot. Bonds5

About 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one

4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one (PubChem CID 72699635) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one
PubChem CID72699635
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one
SMILESCc1cc(-c2ccc(CNc3nccc4cc(N5CCNC(=O)C5)ncc34)cc2)ccn1
InChIInChI=1S/C25H24N6O/c1-17-12-20(6-8-26-17)19-4-2-18(3-5-19)14-30-25-22-15-29-23(13-21(22)7-9-28-25)31-11-10-27-24(32)16-31/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,27,32)(H,28,30)
InChIKeyHRRQLWOCKZREKU-UHFFFAOYSA-N
XLogP3.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one?
The IUPAC name of 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one (CID 72699635) is 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one is Cc1cc(-c2ccc(CNc3nccc4cc(N5CCNC(=O)C5)ncc34)cc2)ccn1.
What is the InChIKey of 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one?
The InChIKey is HRRQLWOCKZREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-12-20(6-8-26-17)19-4-2-18(3-5-19)14-30-25-22-15-29-23(13-21(22)7-9-28-25)31-11-10-27-24(32)16-31/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one?
4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one has a molecular weight of 424.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-2-one is sourced from PubChem (CID 72699635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).