1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide

C17H24N4O — CID 171992682

IUPAC1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C17H24N4O/c1-11(2)19-17(22)14-5-7-21(8-6-14)16-15(10-18)12(3)9-13(4)20-16/h9,11,14H,5-8H2,1-4H3,(H,19,22)
InChIKeyAYMGOUBYOXKGAV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 171992682) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID171992682
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C17H24N4O/c1-11(2)19-17(22)14-5-7-21(8-6-14)16-15(10-18)12(3)9-13(4)20-16/h9,11,14H,5-8H2,1-4H3,(H,19,22)
InChIKeyAYMGOUBYOXKGAV-UHFFFAOYSA-N
XLogP2.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 171992682) is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide is Cc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)C)CC2)n1.
What is the InChIKey of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is AYMGOUBYOXKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)19-17(22)14-5-7-21(8-6-14)16-15(10-18)12(3)9-13(4)20-16/h9,11,14H,5-8H2,1-4H3,(H,19,22).
What are the key properties of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 171992682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).