2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane

C19H25N5O2S — CID 160550242

IUPAC2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane
SMILESCCn1ccc2cc(Nc3cc(C)ccn3)nc(N[C@@H](C)CO)c2c1=O.S
InChIInChI=1S/C19H23N5O2.H2S/c1-4-24-8-6-14-10-16(22-15-9-12(2)5-7-20-15)23-18(17(14)19(24)26)21-13(3)11-25;/h5-10,13,25H,4,11H2,1-3H3,(H2,20,21,22,23);1H2/t13-;/m0./s1
InChIKeyQXYUJNGNLHMZBM-ZOWNYOTGSA-N
MW387.51 g/mol
LogP2.77
Rot. Bonds6

About 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane

2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane (PubChem CID 160550242) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane.

Molecular Properties

Compound Name2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane
PubChem CID160550242
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane
SMILESCCn1ccc2cc(Nc3cc(C)ccn3)nc(N[C@@H](C)CO)c2c1=O.S
InChIInChI=1S/C19H23N5O2.H2S/c1-4-24-8-6-14-10-16(22-15-9-12(2)5-7-20-15)23-18(17(14)19(24)26)21-13(3)11-25;/h5-10,13,25H,4,11H2,1-3H3,(H2,20,21,22,23);1H2/t13-;/m0./s1
InChIKeyQXYUJNGNLHMZBM-ZOWNYOTGSA-N
XLogP2.77
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 76691685
8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one
CID 58167037
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093
2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
CID 58167485
8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 76691772
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 50925036
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58166825
2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
CID 58166803
8-(tert-butylamino)-6-[[4-(2-hydroxyethoxy)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 58166771
8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 58167056
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58167495
2-methyl-6-[(4-methyl-2-pyridinyl)amino]-8-[[(2R)-oxolan-2-yl]methylamino]-2,7-naphthyridin-1-one
CID 50925172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane?
The IUPAC name of 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane (CID 160550242) is 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane.
What is the SMILES notation for 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane?
The canonical SMILES for 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane is CCn1ccc2cc(Nc3cc(C)ccn3)nc(N[C@@H](C)CO)c2c1=O.S.
What is the InChIKey of 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane?
The InChIKey is QXYUJNGNLHMZBM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H23N5O2.H2S/c1-4-24-8-6-14-10-16(22-15-9-12(2)5-7-20-15)23-18(17(14)19(24)26)21-13(3)11-25;/h5-10,13,25H,4,11H2,1-3H3,(H2,20,21,22,23);1H2/t13-;/m0./s1.
What are the key properties of 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane?
2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane has a molecular weight of 387.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one;sulfane is sourced from PubChem (CID 160550242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).