methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate

C16H15ClN2O3 — CID 45139943

IUPACmethyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)CC(NC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-22-15(20)9-14(11-4-6-13(17)7-5-11)19-16(21)12-3-2-8-18-10-12/h2-8,10,14H,9H2,1H3,(H,19,21)
InChIKeyHHJNQWAZDYENCB-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.77
Rot. Bonds5

About methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate

methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate (PubChem CID 45139943) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
PubChem CID45139943
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namemethyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)CC(NC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-22-15(20)9-14(11-4-6-13(17)7-5-11)19-16(21)12-3-2-8-18-10-12/h2-8,10,14H,9H2,1H3,(H,19,21)
InChIKeyHHJNQWAZDYENCB-UHFFFAOYSA-N
XLogP2.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 55633058
methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate
CID 27700837
methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674
(3R)-3-(4-chloro-3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid
CID 97259466
methyl 3-(4-chlorophenyl)-3-[(2-chloroquinoline-6-carbonyl)amino]propanoate
CID 55822876
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate (CID 45139943) is methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate is COC(=O)CC(NC(=O)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate?
The InChIKey is HHJNQWAZDYENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-22-15(20)9-14(11-4-6-13(17)7-5-11)19-16(21)12-3-2-8-18-10-12/h2-8,10,14H,9H2,1H3,(H,19,21).
What are the key properties of methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate?
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate has a molecular weight of 318.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 45139943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).