methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate

C22H21N3O3 — CID 24829474

IUPACmethyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3cnccc3C)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-14-4-5-17(21(26)28-3)12-19(14)16-6-8-18(9-7-16)24-22(27)25-20-13-23-11-10-15(20)2/h4-13H,1-3H3,(H2,24,25,27)
InChIKeyLXNDSWWDHJJOKE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.80
Rot. Bonds4

About methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate

methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate (PubChem CID 24829474) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
PubChem CID24829474
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3cnccc3C)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-14-4-5-17(21(26)28-3)12-19(14)16-6-8-18(9-7-16)24-22(27)25-20-13-23-11-10-15(20)2/h4-13H,1-3H3,(H2,24,25,27)
InChIKeyLXNDSWWDHJJOKE-UHFFFAOYSA-N
XLogP4.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]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

1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 46859737
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
2-fluoro-4-[(4-methyl-3-pyridinyl)carbamoylamino]benzoic acid
CID 107796272
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
CID 50995965
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
CID 143942930
1-[4-(2-butyltetrazol-5-yl)phenyl]-3-(4-methyl-3-pyridinyl)urea
CID 122455276
4-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
CID 44526072
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
CID 110706425

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate?
The IUPAC name of methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate (CID 24829474) is methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate is COC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3cnccc3C)cc2)c1.
What is the InChIKey of methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate?
The InChIKey is LXNDSWWDHJJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-4-5-17(21(26)28-3)12-19(14)16-6-8-18(9-7-16)24-22(27)25-20-13-23-11-10-15(20)2/h4-13H,1-3H3,(H2,24,25,27).
What are the key properties of methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate?
methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate is sourced from PubChem (CID 24829474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).