1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C23H28N2O2 — CID 53051141

IUPAC1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(2)27-22-10-8-19(9-11-22)16-24-23(26)21-12-14-25(15-13-21)17-20-6-4-3-5-7-20/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyIOKXMCXCQPDUQG-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.92
Rot. Bonds7

About 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051141) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051141
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(2)27-22-10-8-19(9-11-22)16-24-23(26)21-12-14-25(15-13-21)17-20-6-4-3-5-7-20/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyIOKXMCXCQPDUQG-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051141) is 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)Oc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is IOKXMCXCQPDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(2)27-22-10-8-19(9-11-22)16-24-23(26)21-12-14-25(15-13-21)17-20-6-4-3-5-7-20/h3-12,18H,13-17H2,1-2H3,(H,24,26).
What are the key properties of 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).