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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Related Compounds

N-[1-(6-cyano-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605930
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97219868
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
1-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603407
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
CID 56882105
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171993359

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).