1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide

C18H24N4O2 — CID 165431329

IUPAC1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCCC(C(=O)NC3CCOCC3)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-4-5-14(11-19)17(20-13)22-8-2-3-15(12-22)18(23)21-16-6-9-24-10-7-16/h4-5,15-16H,2-3,6-10,12H2,1H3,(H,21,23)
InChIKeyKHDKQTBDCXOCQB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.77
Rot. Bonds3

About 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide

1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 165431329) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID165431329
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1ccc(C#N)c(N2CCCC(C(=O)NC3CCOCC3)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-4-5-14(11-19)17(20-13)22-8-2-3-15(12-22)18(23)21-16-6-9-24-10-7-16/h4-5,15-16H,2-3,6-10,12H2,1H3,(H,21,23)
InChIKeyKHDKQTBDCXOCQB-UHFFFAOYSA-N
XLogP1.77
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993013
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171992627
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166602579
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97219868
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 165431568
1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431316

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide (CID 165431329) is 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide is Cc1ccc(C#N)c(N2CCCC(C(=O)NC3CCOCC3)C2)n1.
What is the InChIKey of 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is KHDKQTBDCXOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-4-5-14(11-19)17(20-13)22-8-2-3-15(12-22)18(23)21-16-6-9-24-10-7-16/h4-5,15-16H,2-3,6-10,12H2,1H3,(H,21,23).
What are the key properties of 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide?
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).