3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C15H19ClN6O — CID 118114798

IUPAC3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O
InChIInChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyBLQDZHDJJZRPNR-LLVKDONJSA-N
MW334.81 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 118114798) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID118114798
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O
InChIInChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyBLQDZHDJJZRPNR-LLVKDONJSA-N
XLogP1.73
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 167282710
4-[[3-cyano-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]benzoic acid
CID 175169480
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
3-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,1-dimethylurea
CID 118115329
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
6-[[3-cyano-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146485037
5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile
CID 166452581
tert-butyl 7-[4-[[3-cyano-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine-2-carboxylate
CID 146558569
3-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;1-methylpiperidine
CID 167668333
5-chloro-3-[3-[2-oxo-3-(trifluoromethyl)imidazolidin-1-yl]piperidin-1-yl]-1,2,4-triazine-6-carbonitrile
CID 166452699

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 118114798) is 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O.
What is the InChIKey of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BLQDZHDJJZRPNR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1.
What are the key properties of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 334.81 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 118114798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).