methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate

C21H18ClN3O3 — CID 58487144

IUPACmethyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1
InChIInChI=1S/C21H18ClN3O3/c1-12-3-5-13(6-4-12)20(26)25-18-10-8-15(19(23)24-18)16-11-14(21(27)28-2)7-9-17(16)22/h3-11H,1-2H3,(H3,23,24,25,26)
InChIKeyHKRXTRHTABPJHG-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.33
Rot. Bonds4

About methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate

methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate (PubChem CID 58487144) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
PubChem CID58487144
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Namemethyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1
InChIInChI=1S/C21H18ClN3O3/c1-12-3-5-13(6-4-12)20(26)25-18-10-8-15(19(23)24-18)16-11-14(21(27)28-2)7-9-17(16)22/h3-11H,1-2H3,(H3,23,24,25,26)
InChIKeyHKRXTRHTABPJHG-UHFFFAOYSA-N
XLogP4.33
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487003
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
CID 123596980
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
CID 122181200
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 25156248
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
CID 58486948
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate?
The IUPAC name of methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate (CID 58487144) is methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.
What is the InChIKey of methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate?
The InChIKey is HKRXTRHTABPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-12-3-5-13(6-4-12)20(26)25-18-10-8-15(19(23)24-18)16-11-14(21(27)28-2)7-9-17(16)22/h3-11H,1-2H3,(H3,23,24,25,26).
What are the key properties of methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate?
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate has a molecular weight of 395.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate is sourced from PubChem (CID 58487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).