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

C21H32ClN5O3 — CID 172913048

IUPACN,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
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)CCc1noc(C(C)C)n1.Cl
InChIInChI=1S/C21H31N5O3.ClH/c1-14(2)19-23-17(24-29-19)8-10-25(4)20(27)18-15(3)7-11-26(21(18)28)13-16-6-5-9-22-12-16;/h7,11,14,16,22H,5-6,8-10,12-13H2,1-4H3;1H
InChIKeyWLXCQNCTUHICMF-UHFFFAOYSA-N
MW437.97 g/mol
LogP2.40
Rot. Bonds7

About 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

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 (PubChem CID 172913048) has the molecular formula C21H32ClN5O3 and a molecular weight of 437.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID172913048
Molecular FormulaC21H32ClN5O3
Molecular Weight437.97 g/mol
Exact Mass437.22
IUPAC NameN,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
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)CCc1noc(C(C)C)n1.Cl
InChIInChI=1S/C21H31N5O3.ClH/c1-14(2)19-23-17(24-29-19)8-10-25(4)20(27)18-15(3)7-11-26(21(18)28)13-16-6-5-9-22-12-16;/h7,11,14,16,22H,5-6,8-10,12-13H2,1-4H3;1H
InChIKeyWLXCQNCTUHICMF-UHFFFAOYSA-N
XLogP2.40
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658647
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911512
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
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172663149
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)CCc1noc(C(C)C)n1.Cl.
What is the InChIKey of 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?
The InChIKey is WLXCQNCTUHICMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3.ClH/c1-14(2)19-23-17(24-29-19)8-10-25(4)20(27)18-15(3)7-11-26(21(18)28)13-16-6-5-9-22-12-16;/h7,11,14,16,22H,5-6,8-10,12-13H2,1-4H3;1H.
What are the key properties of 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?
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 has a molecular weight of 437.97 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172913048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).