N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C20H28Cl2N4O2 — CID 172912666

IUPACN-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1cccc(N(C)C)c1.Cl.Cl
InChIInChI=1S/C20H26N4O2.2ClH/c1-14-9-12-24(16-7-10-21-11-8-16)20(26)18(14)19(25)22-15-5-4-6-17(13-15)23(2)3;;/h4-6,9,12-13,16,21H,7-8,10-11H2,1-3H3,(H,22,25);2*1H
InChIKeyVEGJKMYBBFKKAS-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.24
Rot. Bonds4

About N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 172912666) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID172912666
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC NameN-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1cccc(N(C)C)c1.Cl.Cl
InChIInChI=1S/C20H26N4O2.2ClH/c1-14-9-12-24(16-7-10-21-11-8-16)20(26)18(14)19(25)22-15-5-4-6-17(13-15)23(2)3;;/h4-6,9,12-13,16,21H,7-8,10-11H2,1-3H3,(H,22,25);2*1H
InChIKeyVEGJKMYBBFKKAS-UHFFFAOYSA-N
XLogP3.24
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172666990
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172911814
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664179
4-methyl-2-oxo-1-piperidin-4-yl-N-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 172663685
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-(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-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910815

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 172912666) is N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1cccc(N(C)C)c1.Cl.Cl.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is VEGJKMYBBFKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.2ClH/c1-14-9-12-24(16-7-10-21-11-8-16)20(26)18(14)19(25)22-15-5-4-6-17(13-15)23(2)3;;/h4-6,9,12-13,16,21H,7-8,10-11H2,1-3H3,(H,22,25);2*1H.
What are the key properties of N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 427.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172912666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).