methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate

C17H16ClN3O4 — CID 55781667

IUPACmethyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C17H16ClN3O4/c1-25-16(23)10-20-15(22)8-11-2-4-13(5-3-11)21-17(24)14-9-12(18)6-7-19-14/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,24)
InChIKeyTVCPKWCVRHNKAY-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.82
Rot. Bonds6

About methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate (PubChem CID 55781667) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
PubChem CID55781667
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Namemethyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C17H16ClN3O4/c1-25-16(23)10-20-15(22)8-11-2-4-13(5-3-11)21-17(24)14-9-12(18)6-7-19-14/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,24)
InChIKeyTVCPKWCVRHNKAY-UHFFFAOYSA-N
XLogP1.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate 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

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781822
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854034
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854260

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate (CID 55781667) is methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The InChIKey is TVCPKWCVRHNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-25-16(23)10-20-15(22)8-11-2-4-13(5-3-11)21-17(24)14-9-12(18)6-7-19-14/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,24).
What are the key properties of methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate has a molecular weight of 361.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).