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

C19H26N4O2 — CID 171992627

IUPAC1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC3CCOCC3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)21-18(17(13)12-20)23-7-3-15(4-8-23)19(24)22-16-5-9-25-10-6-16/h11,15-16H,3-10H2,1-2H3,(H,22,24)
InChIKeyPKXUWFIAXJPEQH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.08
Rot. Bonds3

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

1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 171992627) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID171992627
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC3CCOCC3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)21-18(17(13)12-20)23-7-3-15(4-8-23)19(24)22-16-5-9-25-10-6-16/h11,15-16H,3-10H2,1-2H3,(H,22,24)
InChIKeyPKXUWFIAXJPEQH-UHFFFAOYSA-N
XLogP2.08
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide (CID 171992627) is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide is Cc1cc(C)c(C#N)c(N2CCC(C(=O)NC3CCOCC3)CC2)n1.
What is the InChIKey of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is PKXUWFIAXJPEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-11-14(2)21-18(17(13)12-20)23-7-3-15(4-8-23)19(24)22-16-5-9-25-10-6-16/h11,15-16H,3-10H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide?
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).