1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C20H21FN2O2 — CID 20929937

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2=CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-25-19-4-2-3-18(13-19)22-20(24)16-9-11-23(12-10-16)14-15-5-7-17(21)8-6-15/h2-9,13H,10-12,14H2,1H3,(H,22,24)
InChIKeyCVXBAIURLIPFQO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.61
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 20929937) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID20929937
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2=CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-25-19-4-2-3-18(13-19)22-20(24)16-9-11-23(12-10-16)14-15-5-7-17(21)8-6-15/h2-9,13H,10-12,14H2,1H3,(H,22,24)
InChIKeyCVXBAIURLIPFQO-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929946
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(4-methoxy-2-methylphenyl)-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051206
1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051194
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051225
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
1-[(1S,5S)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-methoxyphenyl)urea
CID 98109689
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
(2S)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 93056358
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 20929937) is 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is COc1cccc(NC(=O)C2=CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is CVXBAIURLIPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-25-19-4-2-3-18(13-19)22-20(24)16-9-11-23(12-10-16)14-15-5-7-17(21)8-6-15/h2-9,13H,10-12,14H2,1H3,(H,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 20929937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).