3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile

C31H32N6O — CID 168918532

About 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile

3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile (PubChem CID 168918532) has the molecular formula C31H32N6O and a molecular weight of 504.64 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
• PubChem CID: 168918532
• Molecular Formula: C31H32N6O
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.26
• IUPAC Name: 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
• SMILES: Cc1ccnc(C)c1Oc1nc(N2CCNCC2)c2c(c1C#N)CN(c1cccc3cccc(C)c13)CC2
• InChI: InChI=1S/C31H32N6O/c1-20-6-4-7-23-8-5-9-27(28(20)23)37-15-11-24-26(19-37)25(18-32)31(35-30(24)36-16-13-33-14-17-36)38-29-21(2)10-12-34-22(29)3/h4-10,12,33H,11,13-17,19H2,1-3H3
• InChIKey: DNFQJVVVRQDRLB-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 77.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?

The IUPAC name of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile (CID 168918532) is 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile.

What is the SMILES notation for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?

The canonical SMILES for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile is Cc1ccnc(C)c1Oc1nc(N2CCNCC2)c2c(c1C#N)CN(c1cccc3cccc(C)c13)CC2.

What is the InChIKey of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?

The InChIKey is DNFQJVVVRQDRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O/c1-20-6-4-7-23-8-5-9-27(28(20)23)37-15-11-24-26(19-37)25(18-32)31(35-30(24)36-16-13-33-14-17-36)38-29-21(2)10-12-34-22(29)3/h4-10,12,33H,11,13-17,19H2,1-3H3.

What are the key properties of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile?

3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile has a molecular weight of 504.64 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-6-(8-methylnaphthalen-1-yl)-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile is sourced from PubChem (CID 168918532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).