methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate

C18H20ClN3O3 — CID 109174778

IUPACmethyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCN(CC)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-4-22(5-2)16-11-12(8-9-20-16)17(23)21-15-10-13(18(24)25-3)6-7-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyGLODVJREVUXDDU-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.62
Rot. Bonds6

About methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate

methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109174778) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109174778
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Namemethyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCN(CC)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-4-22(5-2)16-11-12(8-9-20-16)17(23)21-15-10-13(18(24)25-3)6-7-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyGLODVJREVUXDDU-UHFFFAOYSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109217873
methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099029
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165073
methyl 4-chloro-3-[[4-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109203186
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate (CID 109174778) is methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate is CCN(CC)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1.
What is the InChIKey of methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is GLODVJREVUXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-4-22(5-2)16-11-12(8-9-20-16)17(23)21-15-10-13(18(24)25-3)6-7-14(15)19/h6-11H,4-5H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 361.83 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109174778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).