methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate

C15H14ClN3O4 — CID 110492036

IUPACmethyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C15H14ClN3O4/c1-22-12-8-11(10(16)7-9(12)14(20)23-2)18-15(21)19-13-5-3-4-6-17-13/h3-8H,1-2H3,(H2,17,18,19,21)
InChIKeyPAWUPPHQFBBRJN-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.17
Rot. Bonds4

About methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate

methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate (PubChem CID 110492036) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
PubChem CID110492036
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Namemethyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C15H14ClN3O4/c1-22-12-8-11(10(16)7-9(12)14(20)23-2)18-15(21)19-13-5-3-4-6-17-13/h3-8H,1-2H3,(H2,17,18,19,21)
InChIKeyPAWUPPHQFBBRJN-UHFFFAOYSA-N
XLogP3.17
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014
1-(4-ethyl-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 18682310
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
methyl 5-chloro-4-[[(3S)-3-hydroxybutyl]carbamoylamino]-2-methoxybenzoate
CID 95980182
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
CID 1296628
methyl 5-chloro-4-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbamoylamino]-2-methoxybenzoate
CID 97311590
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate (CID 110492036) is methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate is COC(=O)c1cc(Cl)c(NC(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate?
The InChIKey is PAWUPPHQFBBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-22-12-8-11(10(16)7-9(12)14(20)23-2)18-15(21)19-13-5-3-4-6-17-13/h3-8H,1-2H3,(H2,17,18,19,21).
What are the key properties of methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate?
methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate has a molecular weight of 335.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 110492036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).