4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide

C15H21N5O — CID 63344096

IUPAC4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C#N)N1CCN(c2ccnc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C15H21N5O/c1-12(11-16)19-6-8-20(9-7-19)13-4-5-17-14(10-13)15(21)18(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyUOBVEFMMWUASNF-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.82
Rot. Bonds3

About 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide

4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 63344096) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID63344096
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C#N)N1CCN(c2ccnc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C15H21N5O/c1-12(11-16)19-6-8-20(9-7-19)13-4-5-17-14(10-13)15(21)18(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyUOBVEFMMWUASNF-UHFFFAOYSA-N
XLogP0.82
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63343922
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869
4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-[4-(1-cyanoethyl)piperazin-1-yl]-2-methylbenzonitrile
CID 81273412
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
methyl 2-[4-(1-cyanoethyl)piperazin-1-yl]pyridine-3-carboxylate
CID 63340452
2-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63341111

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide (CID 63344096) is 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide is CC(C#N)N1CCN(c2ccnc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is UOBVEFMMWUASNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(11-16)19-6-8-20(9-7-19)13-4-5-17-14(10-13)15(21)18(2)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 63344096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).