4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

C20H22ClN3O4 — CID 172911814

IUPAC4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2c(c1)COC2=O.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-12-6-9-23(15-4-7-21-8-5-15)19(25)17(12)18(24)22-14-2-3-16-13(10-14)11-27-20(16)26;/h2-3,6,9-10,15,21H,4-5,7-8,11H2,1H3,(H,22,24);1H
InChIKeySYFYRPNPUDZUDJ-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (PubChem CID 172911814) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
PubChem CID172911814
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2c(c1)COC2=O.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-12-6-9-23(15-4-7-21-8-5-15)19(25)17(12)18(24)22-14-2-3-16-13(10-14)11-27-20(16)26;/h2-3,6,9-10,15,21H,4-5,7-8,11H2,1H3,(H,22,24);1H
InChIKeySYFYRPNPUDZUDJ-UHFFFAOYSA-N
XLogP2.43
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172666990
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664179
N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664109
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912636
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172673603
4-methyl-2-oxo-1-piperidin-4-yl-N-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 172663685
4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 172911120
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
CID 172909927
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910810
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
N-(1-ethylbenzimidazol-2-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 175643277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (CID 172911814) is 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc2c(c1)COC2=O.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The InChIKey is SYFYRPNPUDZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.ClH/c1-12-6-9-23(15-4-7-21-8-5-15)19(25)17(12)18(24)22-14-2-3-16-13(10-14)11-27-20(16)26;/h2-3,6,9-10,15,21H,4-5,7-8,11H2,1H3,(H,22,24);1H.
What are the key properties of 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172911814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).