N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C20H29ClN4O3 — CID 172912358

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)Cc1c(C)noc1C.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-13-7-9-24(11-16-6-5-8-21-10-16)20(26)18(13)19(25)23(4)12-17-14(2)22-27-15(17)3;/h7,9,16,21H,5-6,8,10-12H2,1-4H3;1H
InChIKeyIIUYTYHCEHOXCW-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.46
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172912358) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID172912358
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)Cc1c(C)noc1C.Cl
InChIInChI=1S/C20H28N4O3.ClH/c1-13-7-9-24(11-16-6-5-8-21-10-16)20(26)18(13)19(25)23(4)12-17-14(2)22-27-15(17)3;/h7,9,16,21H,5-6,8,10-12H2,1-4H3;1H
InChIKeyIIUYTYHCEHOXCW-UHFFFAOYSA-N
XLogP2.46
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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,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
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172667695
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911512
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
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-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
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
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 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) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(C)Cc1c(C)noc1C.Cl.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is IIUYTYHCEHOXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.ClH/c1-13-7-9-24(11-16-6-5-8-21-10-16)20(26)18(13)19(25)23(4)12-17-14(2)22-27-15(17)3;/h7,9,16,21H,5-6,8,10-12H2,1-4H3;1H.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172912358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).