6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one

C23H25N5O — CID 174035462

IUPAC6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
SMILESC/N=C/C=C(N)Cn1c(=O)c2c(c3cccnc31)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H25N5O/c1-25-12-9-18(24)15-28-22-20(8-5-11-26-22)19-10-13-27(16-21(19)23(28)29)14-17-6-3-2-4-7-17/h2-9,11-12H,10,13-16,24H2,1H3/b18-9?,25-12+
InChIKeyXWEXEQDMNYUGCG-JEMDKBOOSA-N
MW387.49 g/mol
LogP2.50
Rot. Bonds5

About 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one

6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one (PubChem CID 174035462) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
PubChem CID174035462
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one
SMILESC/N=C/C=C(N)Cn1c(=O)c2c(c3cccnc31)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H25N5O/c1-25-12-9-18(24)15-28-22-20(8-5-11-26-22)19-10-13-27(16-21(19)23(28)29)14-17-6-3-2-4-7-17/h2-9,11-12H,10,13-16,24H2,1H3/b18-9?,25-12+
InChIKeyXWEXEQDMNYUGCG-JEMDKBOOSA-N
XLogP2.50
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402716
6-[(2-ethylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402728
6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402718
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53031422
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
7-benzyl-11-[(3-chlorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
CID 166473129
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576054
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 46954333
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 53031244
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53143483
3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13381781
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one?
The IUPAC name of 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one (CID 174035462) is 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one.
What is the SMILES notation for 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one?
The canonical SMILES for 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one is C/N=C/C=C(N)Cn1c(=O)c2c(c3cccnc31)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one?
The InChIKey is XWEXEQDMNYUGCG-JEMDKBOOSA-N. The full InChI is InChI=1S/C23H25N5O/c1-25-12-9-18(24)15-28-22-20(8-5-11-26-22)19-10-13-27(16-21(19)23(28)29)14-17-6-3-2-4-7-17/h2-9,11-12H,10,13-16,24H2,1H3/b18-9?,25-12+.
What are the key properties of 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one?
6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one has a molecular weight of 387.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-methyliminobut-2-enyl)-3-benzyl-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridin-5-one is sourced from PubChem (CID 174035462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).