N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C21H29Cl2N3O4 — CID 172913023

IUPACN-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)c(OC)c1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-14-8-10-24(13-15-5-4-9-22-12-15)21(26)19(14)20(25)23-17-7-6-16(27-2)11-18(17)28-3;;/h6-8,10-11,15,22H,4-5,9,12-13H2,1-3H3,(H,23,25);2*1H
InChIKeyGRGWHZGWYWSIGW-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.27
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 172913023) has the molecular formula C21H29Cl2N3O4 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID172913023
Molecular FormulaC21H29Cl2N3O4
Molecular Weight458.39 g/mol
Exact Mass457.15
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)c(OC)c1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-14-8-10-24(13-15-5-4-9-22-12-15)21(26)19(14)20(25)23-17-7-6-16(27-2)11-18(17)28-3;;/h6-8,10-11,15,22H,4-5,9,12-13H2,1-3H3,(H,23,25);2*1H
InChIKeyGRGWHZGWYWSIGW-UHFFFAOYSA-N
XLogP3.27
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666747
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride
CID 172911634
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
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
acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172910090

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 172913023) is N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is COc1ccc(NC(=O)c2c(C)ccn(CC3CCCNC3)c2=O)c(OC)c1.Cl.Cl.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is GRGWHZGWYWSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.2ClH/c1-14-8-10-24(13-15-5-4-9-22-12-15)21(26)19(14)20(25)23-17-7-6-16(27-2)11-18(17)28-3;;/h6-8,10-11,15,22H,4-5,9,12-13H2,1-3H3,(H,23,25);2*1H.
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 458.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172913023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).