1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide

C18H27N5O — CID 46525465

IUPAC1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H27N5O/c1-3-22(4-2)12-9-20-18(24)16-7-10-23(11-8-16)17-6-5-15(13-19)14-21-17/h5-6,14,16H,3-4,7-12H2,1-2H3,(H,20,24)
InChIKeyQNWYACBDKIMEMK-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.63
Rot. Bonds7

About 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 46525465) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
PubChem CID46525465
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H27N5O/c1-3-22(4-2)12-9-20-18(24)16-7-10-23(11-8-16)17-6-5-15(13-19)14-21-17/h5-6,14,16H,3-4,7-12H2,1-2H3,(H,20,24)
InChIKeyQNWYACBDKIMEMK-UHFFFAOYSA-N
XLogP1.63
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
CID 46481936
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974
1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 162370343

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (CID 46525465) is 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is QNWYACBDKIMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-22(4-2)12-9-20-18(24)16-7-10-23(11-8-16)17-6-5-15(13-19)14-21-17/h5-6,14,16H,3-4,7-12H2,1-2H3,(H,20,24).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46525465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).