[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid

C18H20ClN3O3 — CID 150719825

IUPAC[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid
SMILESCC(=NOCc1cccc(C)n1)C(NC(=O)O)c1cc(C)ccc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11-7-8-16(19)15(9-11)17(21-18(23)24)13(3)22-25-10-14-6-4-5-12(2)20-14/h4-9,17,21H,10H2,1-3H3,(H,23,24)
InChIKeyJPPYMQNANWBKKB-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.25
Rot. Bonds6

About [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid

[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid (PubChem CID 150719825) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid
PubChem CID150719825
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid
SMILESCC(=NOCc1cccc(C)n1)C(NC(=O)O)c1cc(C)ccc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11-7-8-16(19)15(9-11)17(21-18(23)24)13(3)22-25-10-14-6-4-5-12(2)20-14/h4-9,17,21H,10H2,1-3H3,(H,23,24)
InChIKeyJPPYMQNANWBKKB-UHFFFAOYSA-N
XLogP4.25
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-chloro-5-[(E)-C-methyl-N-[(6-methyl-2-pyridinyl)methoxy]carbonimidoyl]phenoxy]carbamate
CID 59549515
1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine
CID 142777170
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;methyl N-[[2-chloro-5-[(E)-C-methyl-N-[(6-methyl-2-pyridinyl)methoxy]carbonimidoyl]phenyl]methyl]carbamate;hydrochloride
CID 71471500
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
3-methyl-2-[(6-methyl-2-pyridinyl)methoxycarbonylamino]butanoic acid
CID 18939663
2-methoxyimino-N-[(6-methyl-2-pyridinyl)methoxy]acetamide
CID 154779824
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
CID 67488057
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide
CID 126842070
acetic acid;bis(2-(6-methyl-2-pyridinyl)-1,1-diphenylethanolate);palladium(2+)
CID 66575146

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid?
The IUPAC name of [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid (CID 150719825) is [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid.
What is the SMILES notation for [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid?
The canonical SMILES for [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid is CC(=NOCc1cccc(C)n1)C(NC(=O)O)c1cc(C)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid?
The InChIKey is JPPYMQNANWBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11-7-8-16(19)15(9-11)17(21-18(23)24)13(3)22-25-10-14-6-4-5-12(2)20-14/h4-9,17,21H,10H2,1-3H3,(H,23,24).
What are the key properties of [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid?
[1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid has a molecular weight of 361.83 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methylphenyl)-2-[(6-methyl-2-pyridinyl)methoxyimino]propyl]carbamic acid is sourced from PubChem (CID 150719825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).