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

C22H26N2O — CID 53051197

IUPAC1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(CN2CC=C(C(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O/c1-17-7-6-8-19(15-17)16-24-13-11-21(12-14-24)22(25)23-18(2)20-9-4-3-5-10-20/h3-11,15,18H,12-14,16H2,1-2H3,(H,23,25)
InChIKeyUHEKYFPOYGUFBK-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.00
Rot. Bonds5

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

1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051197) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051197
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(CN2CC=C(C(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O/c1-17-7-6-8-19(15-17)16-24-13-11-21(12-14-24)22(25)23-18(2)20-9-4-3-5-10-20/h3-11,15,18H,12-14,16H2,1-2H3,(H,23,25)
InChIKeyUHEKYFPOYGUFBK-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051194
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
N-(4-methoxy-2-methylphenyl)-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051206
3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 90761877
4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159059
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051141
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051197) is 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1cccc(CN2CC=C(C(=O)NC(C)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is UHEKYFPOYGUFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17-7-6-8-19(15-17)16-24-13-11-21(12-14-24)22(25)23-18(2)20-9-4-3-5-10-20/h3-11,15,18H,12-14,16H2,1-2H3,(H,23,25).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).