N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide

C20H21N3O2 — CID 118779586

IUPACN-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCCCC3c3ccccn3)ccc2o1
InChIInChI=1S/C20H21N3O2/c1-14-12-15-13-16(8-9-19(15)25-14)22-20(24)23-11-5-3-7-18(23)17-6-2-4-10-21-17/h2,4,6,8-10,12-13,18H,3,5,7,11H2,1H3,(H,22,24)
InChIKeyDNGBZLUQCBJUJE-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.90
Rot. Bonds2

About N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide

N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 118779586) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID118779586
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCCCC3c3ccccn3)ccc2o1
InChIInChI=1S/C20H21N3O2/c1-14-12-15-13-16(8-9-19(15)25-14)22-20(24)23-11-5-3-7-18(23)17-6-2-4-10-21-17/h2,4,6,8-10,12-13,18H,3,5,7,11H2,1H3,(H,22,24)
InChIKeyDNGBZLUQCBJUJE-UHFFFAOYSA-N
XLogP4.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
CID 72913425
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169175961
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)acetamide
CID 177382923
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 97054065
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide (CID 118779586) is N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide is Cc1cc2cc(NC(=O)N3CCCCC3c3ccccn3)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is DNGBZLUQCBJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-15-13-16(8-9-19(15)25-14)22-20(24)23-11-5-3-7-18(23)17-6-2-4-10-21-17/h2,4,6,8-10,12-13,18H,3,5,7,11H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide?
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 118779586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).