1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide

C23H26ClN3O2 — CID 55687111

IUPAC1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyOTLIMBANCGTKTM-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.92
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55687111) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID55687111
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyOTLIMBANCGTKTM-UHFFFAOYSA-N
XLogP4.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 949440
N-(5-chloropyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 738360
(E)-6-(3-(3-(3-Methylbenzofuran-2-yl)azetidin-1-yl)-3-oxoprop-1-enyl)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 52950833
8-Chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridyl]benzofuro[3,2-d]pyrimidin-2-one
CID 59535755
(5-Chloro-2-methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 975496
[2-[(4-Chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7974889
8-Chloro-4-[6-(4-isopropylpiperazin-1-yl)-3-pyridyl]-1-(3-methoxypropyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71603221
8-Chloro-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridyl]-1-(3-methoxypropyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71603222
6-[(E)-3-[3-(5-chloro-3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118710285
N-[5-[(E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
CID 118710289
1-[6-[4-[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloro-2-pyridinyl)oxymethyl]-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 56591947
3-Methylbenzo[d]furan-2-yl 4-(2-pyridyl)piperazinyl ketone
CID 1247011

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 55687111) is 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OTLIMBANCGTKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-3-20-19(18-6-4-5-7-21(18)29-20)15-26(2)23(28)16-10-12-27(13-11-16)22-9-8-17(24)14-25-22/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55687111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).