2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one

C19H24N6O2 — CID 123944018

IUPAC2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(Nc3cnccn3)nc(NCCCCCO)c2c1=O
InChIInChI=1S/C19H24N6O2/c1-2-25-10-6-14-12-15(23-16-13-20-8-9-21-16)24-18(17(14)19(25)27)22-7-4-3-5-11-26/h6,8-10,12-13,26H,2-5,7,11H2,1H3,(H2,21,22,23,24)
InChIKeyNFEIFZGFZGDSKH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.52
Rot. Bonds9

About 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one

2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one (PubChem CID 123944018) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
PubChem CID123944018
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(Nc3cnccn3)nc(NCCCCCO)c2c1=O
InChIInChI=1S/C19H24N6O2/c1-2-25-10-6-14-12-15(23-16-13-20-8-9-21-16)24-18(17(14)19(25)27)22-7-4-3-5-11-26/h6,8-10,12-13,26H,2-5,7,11H2,1H3,(H2,21,22,23,24)
InChIKeyNFEIFZGFZGDSKH-UHFFFAOYSA-N
XLogP2.52
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 58167056
4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide
CID 123782016
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
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[(4-pyridin-3-yl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58166654
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
CID 58166970
2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
CID 58166803
2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
CID 66925499
8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
CID 58166825
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one (CID 123944018) is 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one is CCn1ccc2cc(Nc3cnccn3)nc(NCCCCCO)c2c1=O.
What is the InChIKey of 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
The InChIKey is NFEIFZGFZGDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-25-10-6-14-12-15(23-16-13-20-8-9-21-16)24-18(17(14)19(25)27)22-7-4-3-5-11-26/h6,8-10,12-13,26H,2-5,7,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one?
2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one has a molecular weight of 368.44 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 123944018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).