1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one

C23H22ClN3O2 — CID 123490591

IUPAC1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
SMILESC/C(=N\C1CC1)c1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1N
InChIInChI=1S/C23H22ClN3O2/c1-15(26-18-6-7-18)21-12-19(8-9-22(21)25)27-11-10-20(13-23(27)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14,25H2,1H3/b26-15+
InChIKeyYYPNYYOFTKKTTL-CVKSISIWSA-N
MW407.90 g/mol
LogP4.62
Rot. Bonds6

About 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one

1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one (PubChem CID 123490591) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
PubChem CID123490591
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
SMILESC/C(=N\C1CC1)c1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1N
InChIInChI=1S/C23H22ClN3O2/c1-15(26-18-6-7-18)21-12-19(8-9-22(21)25)27-11-10-20(13-23(27)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14,25H2,1H3/b26-15+
InChIKeyYYPNYYOFTKKTTL-CVKSISIWSA-N
XLogP4.62
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 123204943
4-[(4-chlorophenyl)methoxy]-1-[2-[(1R,2S)-2-(2-hydroxypropan-2-yl)cyclopropyl]-3-methylbenzimidazol-5-yl]pyridin-2-one
CID 121386224
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
CID 123393938
4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
CID 123140464
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 46911566
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
CID 91088883
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
4-[(4-chlorophenoxy)methyl]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one
CID 67135129
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one (CID 123490591) is 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one is C/C(=N\C1CC1)c1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1N.
What is the InChIKey of 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The InChIKey is YYPNYYOFTKKTTL-CVKSISIWSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-15(26-18-6-7-18)21-12-19(8-9-22(21)25)27-11-10-20(13-23(27)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14,25H2,1H3/b26-15+.
What are the key properties of 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one has a molecular weight of 407.90 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 123490591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).