1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide

C17H25N3O3 — CID 118785831

IUPAC1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide
SMILESCc1cc(=O)c(C(=O)N2CCC(C)(C(=O)N(C)C)CC2)cn1C
InChIInChI=1S/C17H25N3O3/c1-12-10-14(21)13(11-19(12)5)15(22)20-8-6-17(2,7-9-20)16(23)18(3)4/h10-11H,6-9H2,1-5H3
InChIKeyRSOYYSSGRLHYCO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.02
Rot. Bonds2

About 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide

1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide (PubChem CID 118785831) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide
PubChem CID118785831
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide
SMILESCc1cc(=O)c(C(=O)N2CCC(C)(C(=O)N(C)C)CC2)cn1C
InChIInChI=1S/C17H25N3O3/c1-12-10-14(21)13(11-19(12)5)15(22)20-8-6-17(2,7-9-20)16(23)18(3)4/h10-11H,6-9H2,1-5H3
InChIKeyRSOYYSSGRLHYCO-UHFFFAOYSA-N
XLogP1.02
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide (CID 118785831) is 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide is Cc1cc(=O)c(C(=O)N2CCC(C)(C(=O)N(C)C)CC2)cn1C.
What is the InChIKey of 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide?
The InChIKey is RSOYYSSGRLHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-14(21)13(11-19(12)5)15(22)20-8-6-17(2,7-9-20)16(23)18(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide?
1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)-N,N,4-trimethylpiperidine-4-carboxamide is sourced from PubChem (CID 118785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).