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

C15H19FN2O — CID 53013550

IUPAC1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCN(C)C(=O)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c1-17(2)15(19)13-6-8-18(9-7-13)11-12-4-3-5-14(16)10-12/h3-6,10H,7-9,11H2,1-2H3
InChIKeyIKVVFPMPIFKNAQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.05
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53013550) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53013550
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCN(C)C(=O)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c1-17(2)15(19)13-6-8-18(9-7-13)11-12-4-3-5-14(16)10-12/h3-6,10H,7-9,11H2,1-2H3
InChIKeyIKVVFPMPIFKNAQ-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 53013551
N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051250
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53051270
N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53013550) is 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide is CN(C)C(=O)C1=CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is IKVVFPMPIFKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-17(2)15(19)13-6-8-18(9-7-13)11-12-4-3-5-14(16)10-12/h3-6,10H,7-9,11H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53013550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).