1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide

C19H29N5O — CID 51328372

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C19H29N5O/c1-3-23(4-2)11-5-10-21-19(25)17-8-12-24(13-9-17)18-7-6-16(14-20)15-22-18/h6-7,15,17H,3-5,8-13H2,1-2H3,(H,21,25)
InChIKeyVTCDWDKLCKOLIJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.02
Rot. Bonds8

About 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide (PubChem CID 51328372) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
PubChem CID51328372
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C19H29N5O/c1-3-23(4-2)11-5-10-21-19(25)17-8-12-24(13-9-17)18-7-6-16(14-20)15-22-18/h6-7,15,17H,3-5,8-13H2,1-2H3,(H,21,25)
InChIKeyVTCDWDKLCKOLIJ-UHFFFAOYSA-N
XLogP2.02
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
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-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
CID 154664519
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
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-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide (CID 51328372) is 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The InChIKey is VTCDWDKLCKOLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-23(4-2)11-5-10-21-19(25)17-8-12-24(13-9-17)18-7-6-16(14-20)15-22-18/h6-7,15,17H,3-5,8-13H2,1-2H3,(H,21,25).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.02, 8 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-[3-(diethylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 51328372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).