8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

C19H23N5O2 — CID 50925036

IUPAC8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NC(C)(C)CO)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12-5-7-20-14(9-12)21-15-10-13-6-8-24(4)18(26)16(13)17(22-15)23-19(2,3)11-25/h5-10,25H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyMRCMKENEOYEPLM-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.56
Rot. Bonds5

About 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (PubChem CID 50925036) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
PubChem CID50925036
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NC(C)(C)CO)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12-5-7-20-14(9-12)21-15-10-13-6-8-24(4)18(26)16(13)17(22-15)23-19(2,3)11-25/h5-10,25H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyMRCMKENEOYEPLM-UHFFFAOYSA-N
XLogP2.56
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (CID 50925036) is 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is Cc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NC(C)(C)CO)n2)c1.
What is the InChIKey of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The InChIKey is MRCMKENEOYEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-5-7-20-14(9-12)21-15-10-13-6-8-24(4)18(26)16(13)17(22-15)23-19(2,3)11-25/h5-10,25H,11H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 353.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 50925036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).