6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile

C18H24N6 — CID 97207615

IUPAC6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C18H24N6/c1-22(2)11-12-23-10-8-20-18(23)15-5-4-9-24(14-15)17-7-3-6-16(13-19)21-17/h3,6-8,10,15H,4-5,9,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyZSEYCHXQBIXCAY-OAHLLOKOSA-N
MW324.43 g/mol
LogP2.10
Rot. Bonds5

About 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile

6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 97207615) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID97207615
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C18H24N6/c1-22(2)11-12-23-10-8-20-18(23)15-5-4-9-24(14-15)17-7-3-6-16(13-19)21-17/h3,6-8,10,15H,4-5,9,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyZSEYCHXQBIXCAY-OAHLLOKOSA-N
XLogP2.10
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72884806
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 95880634
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
N,N-dimethyl-2-[2-[(3S)-1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97189808
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N-[[6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 97200001

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 97207615) is 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is CN(C)CCn1ccnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZSEYCHXQBIXCAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6/c1-22(2)11-12-23-10-8-20-18(23)15-5-4-9-24(14-15)17-7-3-6-16(13-19)21-17/h3,6-8,10,15H,4-5,9,11-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 97207615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).