6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one

C19H19Cl2N5O — CID 45114468

IUPAC6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(N=Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(=O)c1
InChIInChI=1S/C19H19Cl2N5O/c1-11-7-18(22)26(19(27)8-11)23-9-14-12(2)24-25(13(14)3)10-15-16(20)5-4-6-17(15)21/h4-9H,10,22H2,1-3H3
InChIKeyIINBHRJAEGWQBF-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.79
Rot. Bonds4

About 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 45114468) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
PubChem CID45114468
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(N=Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(=O)c1
InChIInChI=1S/C19H19Cl2N5O/c1-11-7-18(22)26(19(27)8-11)23-9-14-12(2)24-25(13(14)3)10-15-16(20)5-4-6-17(15)21/h4-9H,10,22H2,1-3H3
InChIKeyIINBHRJAEGWQBF-UHFFFAOYSA-N
XLogP3.79
TPSA78.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013477
(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 2113378
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026527
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
[[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]urea
CID 2690830
(5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9447641
3-[(Z)-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9238775
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
3-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 55241676
(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide
CID 9092581

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one (CID 45114468) is 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(N=Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(=O)c1.
What is the InChIKey of 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is IINBHRJAEGWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-11-7-18(22)26(19(27)8-11)23-9-14-12(2)24-25(13(14)3)10-15-16(20)5-4-6-17(15)21/h4-9H,10,22H2,1-3H3.
What are the key properties of 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 404.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 45114468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).