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

C18H21N5O2 — CID 76691772

IUPAC8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NCC(C)O)n2)c1
InChIInChI=1S/C18H21N5O2/c1-11-4-6-19-14(8-11)21-15-9-13-5-7-23(3)18(25)16(13)17(22-15)20-10-12(2)24/h4-9,12,24H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyATQPHXOLCWLVHO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.17
Rot. Bonds5

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

8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (PubChem CID 76691772) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
PubChem CID76691772
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NCC(C)O)n2)c1
InChIInChI=1S/C18H21N5O2/c1-11-4-6-19-14(8-11)21-15-9-13-5-7-23(3)18(25)16(13)17(22-15)20-10-12(2)24/h4-9,12,24H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyATQPHXOLCWLVHO-UHFFFAOYSA-N
XLogP2.17
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 50925036
2-methyl-6-[(4-methyl-2-pyridinyl)amino]-8-[[(2R)-oxolan-2-yl]methylamino]-2,7-naphthyridin-1-one
CID 50925172
8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one
CID 58167037
2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 76691685
2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane
CID 160550242
2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
CID 58167485
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093
2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 141289772
4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide
CID 123782016
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58166825
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
CID 122315497
2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
CID 58166803

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (CID 76691772) is 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is Cc1ccnc(Nc2cc3ccn(C)c(=O)c3c(NCC(C)O)n2)c1.
What is the InChIKey of 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
The InChIKey is ATQPHXOLCWLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-4-6-19-14(8-11)21-15-9-13-5-7-23(3)18(25)16(13)17(22-15)20-10-12(2)24/h4-9,12,24H,10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?
8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 339.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 76691772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).