N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H20N6O — CID 51095520

IUPACN,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c17-6-1-10-21(11-2-7-18)15(23)14-4-12-22(13-5-14)16-19-8-3-9-20-16/h3,8-9,14H,1-2,4-5,10-13H2
InChIKeyBFDQFJSBPVREDL-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.35
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 51095520) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID51095520
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c17-6-1-10-21(11-2-7-18)15(23)14-4-12-22(13-5-14)16-19-8-3-9-20-16/h3,8-9,14H,1-2,4-5,10-13H2
InChIKeyBFDQFJSBPVREDL-UHFFFAOYSA-N
XLogP1.35
TPSA96.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide
CID 17153115
N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 46989665
N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595242
N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55370290
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 111428735
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47045111
N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
CID 97357761
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 51095520) is N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is N#CCCN(CCC#N)C(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is BFDQFJSBPVREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c17-6-1-10-21(11-2-7-18)15(23)14-4-12-22(13-5-14)16-19-8-3-9-20-16/h3,8-9,14H,1-2,4-5,10-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51095520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).