6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide

C15H21N5O — CID 78956032

IUPAC6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCN(CC#N)CC2)nc1
InChIInChI=1S/C15H21N5O/c1-19(2)15(21)12-3-4-14(17-11-12)18-13-5-8-20(9-6-13)10-7-16/h3-4,11,13H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyLEOFQGROTLUTCL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.18
Rot. Bonds4

About 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956032) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956032
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCN(CC#N)CC2)nc1
InChIInChI=1S/C15H21N5O/c1-19(2)15(21)12-3-4-14(17-11-12)18-13-5-8-20(9-6-13)10-7-16/h3-4,11,13H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyLEOFQGROTLUTCL-UHFFFAOYSA-N
XLogP1.18
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 95894858
6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 95894857
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
CID 133479815
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
CID 63626089
6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 102738868
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 78956032) is 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NC2CCN(CC#N)CC2)nc1.
What is the InChIKey of 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LEOFQGROTLUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)15(21)12-3-4-14(17-11-12)18-13-5-8-20(9-6-13)10-7-16/h3-4,11,13H,5-6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyanomethyl)piperidin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).