methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate

C18H18ClN3O4 — CID 109206683

IUPACmethyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc(N3CCOCC3)ccn2)c1
InChIInChI=1S/C18H18ClN3O4/c1-25-18(24)12-2-3-14(19)15(10-12)21-17(23)16-11-13(4-5-20-16)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyMTEQQQKLCIQLQK-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.61
Rot. Bonds4

About methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate

methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate (PubChem CID 109206683) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate
PubChem CID109206683
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Namemethyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc(N3CCOCC3)ccn2)c1
InChIInChI=1S/C18H18ClN3O4/c1-25-18(24)12-2-3-14(19)15(10-12)21-17(23)16-11-13(4-5-20-16)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyMTEQQQKLCIQLQK-UHFFFAOYSA-N
XLogP2.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112886627
methyl 4-chloro-3-[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]carbamothioylamino]benzoate
CID 100764144
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
methyl 4-chloro-3-[[4-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109203186
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate (CID 109206683) is methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cc(N3CCOCC3)ccn2)c1.
What is the InChIKey of methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate?
The InChIKey is MTEQQQKLCIQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-25-18(24)12-2-3-14(19)15(10-12)21-17(23)16-11-13(4-5-20-16)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate has a molecular weight of 375.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 109206683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).