1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C21H23ClN2O3 — CID 20929946

IUPAC1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)C2=CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1
InChIInChI=1S/C21H23ClN2O3/c1-26-19-11-18(12-20(13-19)27-2)23-21(25)16-7-9-24(10-8-16)14-15-3-5-17(22)6-4-15/h3-7,11-13H,8-10,14H2,1-2H3,(H,23,25)
InChIKeySUOAQQUNKUMWDO-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.13
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 20929946) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID20929946
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)C2=CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1
InChIInChI=1S/C21H23ClN2O3/c1-26-19-11-18(12-20(13-19)27-2)23-21(25)16-7-9-24(10-8-16)14-15-3-5-17(22)6-4-15/h3-7,11-13H,8-10,14H2,1-2H3,(H,23,25)
InChIKeySUOAQQUNKUMWDO-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 20929946) is 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is COc1cc(NC(=O)C2=CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is SUOAQQUNKUMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-26-19-11-18(12-20(13-19)27-2)23-21(25)16-7-9-24(10-8-16)14-15-3-5-17(22)6-4-15/h3-7,11-13H,8-10,14H2,1-2H3,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 20929946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).