6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one

C25H22N6O — CID 118238408

IUPAC6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)N(Cc3ccccc3)CC4)ccn2)n1
InChIInChI=1S/C25H22N6O/c1-17-26-11-8-23(29-17)30-24-14-19(7-10-27-24)20-13-21-22(28-15-20)9-12-31(25(21)32)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,26,27,29,30)
InChIKeyTXOJCWWMKARMDB-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.18
Rot. Bonds5

About 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one

6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 118238408) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID118238408
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)N(Cc3ccccc3)CC4)ccn2)n1
InChIInChI=1S/C25H22N6O/c1-17-26-11-8-23(29-17)30-24-14-19(7-10-27-24)20-13-21-22(28-15-20)9-12-31(25(21)32)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,26,27,29,30)
InChIKeyTXOJCWWMKARMDB-UHFFFAOYSA-N
XLogP4.18
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 118238408) is 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)N(Cc3ccccc3)CC4)ccn2)n1.
What is the InChIKey of 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is TXOJCWWMKARMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-17-26-11-8-23(29-17)30-24-14-19(7-10-27-24)20-13-21-22(28-15-20)9-12-31(25(21)32)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,26,27,29,30).
What are the key properties of 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 422.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 118238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).