N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

C20H21N3O3 — CID 131898064

IUPACN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c24-20(19-13-15-5-1-2-7-18(15)26-19)22-14-17(16-6-3-4-8-21-16)23-9-11-25-12-10-23/h1-8,13,17H,9-12,14H2,(H,22,24)
InChIKeySIMMCZIDKPUBOS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 131898064) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID131898064
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O3/c24-20(19-13-15-5-1-2-7-18(15)26-19)22-14-17(16-6-3-4-8-21-16)23-9-11-25-12-10-23/h1-8,13,17H,9-12,14H2,(H,22,24)
InChIKeySIMMCZIDKPUBOS-UHFFFAOYSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97155288
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72938175
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 99960169
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 119069884

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 131898064) is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is O=C(NCC(c1ccccn1)N1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is SIMMCZIDKPUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-20(19-13-15-5-1-2-7-18(15)26-19)22-14-17(16-6-3-4-8-21-16)23-9-11-25-12-10-23/h1-8,13,17H,9-12,14H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 131898064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).