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

C20H27FN2O — CID 53051225

IUPACN-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1=CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h6-10,16H,1-5,11-15H2,(H,22,24)
InChIKeyKTNSKFBHBOSOCP-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.65
Rot. Bonds5

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

N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051225) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051225
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC NameN-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1=CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h6-10,16H,1-5,11-15H2,(H,22,24)
InChIKeyKTNSKFBHBOSOCP-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929937
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929946
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051225) is N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NCC1CCCCC1)C1=CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is KTNSKFBHBOSOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h6-10,16H,1-5,11-15H2,(H,22,24).
What are the key properties of N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).