N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C23H36Cl2N4O2S — CID 172911512

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl.Cl
InChIInChI=1S/C23H34N4O2S.2ClH/c1-17-8-13-30-20(17)16-27(12-11-25(3)4)23(29)21-18(2)7-10-26(22(21)28)15-19-6-5-9-24-14-19;;/h7-8,10,13,19,24H,5-6,9,11-12,14-16H2,1-4H3;2*1H
InChIKeyGAZPBCKUMLLSJZ-UHFFFAOYSA-N
MW503.54 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 172911512) has the molecular formula C23H36Cl2N4O2S and a molecular weight of 503.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID172911512
Molecular FormulaC23H36Cl2N4O2S
Molecular Weight503.54 g/mol
Exact Mass502.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl.Cl
InChIInChI=1S/C23H34N4O2S.2ClH/c1-17-8-13-30-20(17)16-27(12-11-25(3)4)23(29)21-18(2)7-10-26(22(21)28)15-19-6-5-9-24-14-19;;/h7-8,10,13,19,24H,5-6,9,11-12,14-16H2,1-4H3;2*1H
InChIKeyGAZPBCKUMLLSJZ-UHFFFAOYSA-N
XLogP3.57
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172913238
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912358
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658647
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910355
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 172913048

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 172911512) is N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccsc1CN(CCN(C)C)C(=O)c1c(C)ccn(CC2CCCNC2)c1=O.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is GAZPBCKUMLLSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S.2ClH/c1-17-8-13-30-20(17)16-27(12-11-25(3)4)23(29)21-18(2)7-10-26(22(21)28)15-19-6-5-9-24-14-19;;/h7-8,10,13,19,24H,5-6,9,11-12,14-16H2,1-4H3;2*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 503.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172911512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).