ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate

C18H17ClN2O4 — CID 86674245

IUPACethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2C=O)cn1
InChIInChI=1S/C18H17ClN2O4/c1-2-25-17(23)7-8-20-18(24)16-6-3-12(10-21-16)15-5-4-14(19)9-13(15)11-22/h3-6,9-11H,2,7-8H2,1H3,(H,20,24)
InChIKeyHCFHXSWPNCXAEJ-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.90
Rot. Bonds7

About ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate

ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate (PubChem CID 86674245) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate
PubChem CID86674245
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Nameethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2C=O)cn1
InChIInChI=1S/C18H17ClN2O4/c1-2-25-17(23)7-8-20-18(24)16-6-3-12(10-21-16)15-5-4-14(19)9-13(15)11-22/h3-6,9-11H,2,7-8H2,1H3,(H,20,24)
InChIKeyHCFHXSWPNCXAEJ-UHFFFAOYSA-N
XLogP2.90
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[5-[2-formyl-3-methyl-5-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoate
CID 86674283
ethyl 3-[[5-[2-(bromomethyl)-4,5-difluorophenyl]pyridine-2-carbonyl]amino]propanoate
CID 86674272
ethyl 3-[[5-[2-formyl-3-prop-1-en-2-yl-5-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoate
CID 86674290
ethyl 3-[[5-[2-[[4-(4-chlorophenyl)anilino]methyl]-3,5-bis(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoate
CID 86674261
5-chloro-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 169095205
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108573410

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate (CID 86674245) is ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2C=O)cn1.
What is the InChIKey of ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate?
The InChIKey is HCFHXSWPNCXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-2-25-17(23)7-8-20-18(24)16-6-3-12(10-21-16)15-5-4-14(19)9-13(15)11-22/h3-6,9-11H,2,7-8H2,1H3,(H,20,24).
What are the key properties of ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate?
ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate has a molecular weight of 360.80 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(4-chloro-2-formylphenyl)pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 86674245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).