1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C19H22N2O2 — CID 53051132

IUPAC1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C19H22N2O2/c1-15-7-8-18(23-15)13-20-19(22)17-9-11-21(12-10-17)14-16-5-3-2-4-6-16/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyGBTLIPPVCGQLKL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds5

About 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051132) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051132
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C19H22N2O2/c1-15-7-8-18(23-15)13-20-19(22)17-9-11-21(12-10-17)14-16-5-3-2-4-6-16/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyGBTLIPPVCGQLKL-UHFFFAOYSA-N
XLogP3.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125
1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051141
6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide
CID 71768476
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831
N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051250
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051197

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051132) is 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is GBTLIPPVCGQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-8-18(23-15)13-20-19(22)17-9-11-21(12-10-17)14-16-5-3-2-4-6-16/h2-9H,10-14H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).