1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide

C23H20ClN3O3 — CID 112846111

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide
SMILESN#CCCCOc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C23H20ClN3O3/c24-21-9-2-1-6-17(21)15-27-16-18(10-11-22(27)28)23(29)26-19-7-5-8-20(14-19)30-13-4-3-12-25/h1-2,5-11,14,16H,3-4,13,15H2,(H,26,29)
InChIKeyHPAFTRTYRBFPFO-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.48
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 112846111) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID112846111
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide
SMILESN#CCCCOc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1
InChIInChI=1S/C23H20ClN3O3/c24-21-9-2-1-6-17(21)15-27-16-18(10-11-22(27)28)23(29)26-19-7-5-8-20(14-19)30-13-4-3-12-25/h1-2,5-11,14,16H,3-4,13,15H2,(H,26,29)
InChIKeyHPAFTRTYRBFPFO-UHFFFAOYSA-N
XLogP4.48
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
CID 30387044
4-[3-[(2-chlorophenyl)methylamino]phenoxy]butanenitrile
CID 60943994
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 46494415
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
N-[3-(3-cyanopropoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 87026598
N-[3-(3-cyanopropoxy)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 55878588
2,5-dichloro-N-[3-(3-cyanopropoxy)phenyl]thiophene-3-carboxamide
CID 87026605
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide (CID 112846111) is 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide is N#CCCCOc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is HPAFTRTYRBFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c24-21-9-2-1-6-17(21)15-27-16-18(10-11-22(27)28)23(29)26-19-7-5-8-20(14-19)30-13-4-3-12-25/h1-2,5-11,14,16H,3-4,13,15H2,(H,26,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 421.88 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 112846111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).