6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one

C19H21N5O — CID 174694546

IUPAC6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C19H21N5O/c1-13-12-14-6-7-21-19(25)17(14)18(22-13)23-15-2-4-16(5-3-15)24-10-8-20-9-11-24/h2-7,12,20H,8-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEFLKMZYVPXGOJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.38
Rot. Bonds3

About 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one

6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 174694546) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID174694546
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C19H21N5O/c1-13-12-14-6-7-21-19(25)17(14)18(22-13)23-15-2-4-16(5-3-15)24-10-8-20-9-11-24/h2-7,12,20H,8-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEFLKMZYVPXGOJ-UHFFFAOYSA-N
XLogP2.38
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-(2-methyl-3-methylsulfinylphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093617
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
8-[3-methyl-4-(6-piperazin-1-yl-3-pyridinyl)anilino]-6-(6-methyl-2-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094038

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one (CID 174694546) is 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one is Cc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCNCC3)cc2)n1.
What is the InChIKey of 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is YEFLKMZYVPXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-12-14-6-7-21-19(25)17(14)18(22-13)23-15-2-4-16(5-3-15)24-10-8-20-9-11-24/h2-7,12,20H,8-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one?
6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(4-piperazin-1-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 174694546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).