(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

C20H21N3O2 — CID 97275123

IUPAC(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCCC[C@@H]3c3cccnc3)ccc2o1
InChIInChI=1S/C20H21N3O2/c1-14-11-16-12-17(7-8-19(16)25-14)22-20(24)23-10-3-2-6-18(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,18H,2-3,6,10H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyLYVQGSKNWSKQRE-GOSISDBHSA-N
MW335.41 g/mol
LogP4.90
Rot. Bonds2

About (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 97275123) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID97275123
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1cc2cc(NC(=O)N3CCCC[C@@H]3c3cccnc3)ccc2o1
InChIInChI=1S/C20H21N3O2/c1-14-11-16-12-17(7-8-19(16)25-14)22-20(24)23-10-3-2-6-18(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,18H,2-3,6,10H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyLYVQGSKNWSKQRE-GOSISDBHSA-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

N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 118785958
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
1-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]urea
CID 125175466
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(2-methyl-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 72923232
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 97275123) is (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is Cc1cc2cc(NC(=O)N3CCCC[C@@H]3c3cccnc3)ccc2o1.
What is the InChIKey of (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is LYVQGSKNWSKQRE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-11-16-12-17(7-8-19(16)25-14)22-20(24)23-10-3-2-6-18(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,18H,2-3,6,10H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-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 (2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97275123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).