N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide

C16H22N4O — CID 172880720

IUPACN-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C16H22N4O/c1-16(2,3)19-15(21)12-5-4-8-20(11-12)14-6-7-18-13(9-14)10-17/h6-7,9,12H,4-5,8,11H2,1-3H3,(H,19,21)
InChIKeyGRHPUDCLHXHREV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds2

About N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide

N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 172880720) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
PubChem CID172880720
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C16H22N4O/c1-16(2,3)19-15(21)12-5-4-8-20(11-12)14-6-7-18-13(9-14)10-17/h6-7,9,12H,4-5,8,11H2,1-3H3,(H,19,21)
InChIKeyGRHPUDCLHXHREV-UHFFFAOYSA-N
XLogP2.08
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 146105794
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
CID 166602186
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide (CID 172880720) is N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(c2ccnc(C#N)c2)C1.
What is the InChIKey of N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is GRHPUDCLHXHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)19-15(21)12-5-4-8-20(11-12)14-6-7-18-13(9-14)10-17/h6-7,9,12H,4-5,8,11H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide?
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 172880720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).