N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide

C17H22N4O — CID 166602579

IUPACN-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCc1ccc(C#N)c(N2CCCC(N(C)C(=O)C3CC3)C2)n1
InChIInChI=1S/C17H22N4O/c1-12-5-6-14(10-18)16(19-12)21-9-3-4-15(11-21)20(2)17(22)13-7-8-13/h5-6,13,15H,3-4,7-9,11H2,1-2H3
InChIKeyKXTJMSRVLSZMQF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide

N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide (PubChem CID 166602579) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
PubChem CID166602579
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCc1ccc(C#N)c(N2CCCC(N(C)C(=O)C3CC3)C2)n1
InChIInChI=1S/C17H22N4O/c1-12-5-6-14(10-18)16(19-12)21-9-3-4-15(11-21)20(2)17(22)13-7-8-13/h5-6,13,15H,3-4,7-9,11H2,1-2H3
InChIKeyKXTJMSRVLSZMQF-UHFFFAOYSA-N
XLogP2.10
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide (CID 166602579) is N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide is Cc1ccc(C#N)c(N2CCCC(N(C)C(=O)C3CC3)C2)n1.
What is the InChIKey of N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is KXTJMSRVLSZMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-6-14(10-18)16(19-12)21-9-3-4-15(11-21)20(2)17(22)13-7-8-13/h5-6,13,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide?
N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 166602579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).