2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile

C13H16N4O2 — CID 103718195

IUPAC2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
SMILESCc1cc(=O)c(C(=O)N2CCN(CC#N)CC2)c[nH]1
InChIInChI=1S/C13H16N4O2/c1-10-8-12(18)11(9-15-10)13(19)17-6-4-16(3-2-14)5-7-17/h8-9H,3-7H2,1H3,(H,15,18)
InChIKeyBWCOAUUFEOIMBH-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.04
Rot. Bonds2

About 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile

2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 103718195) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID103718195
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
SMILESCc1cc(=O)c(C(=O)N2CCN(CC#N)CC2)c[nH]1
InChIInChI=1S/C13H16N4O2/c1-10-8-12(18)11(9-15-10)13(19)17-6-4-16(3-2-14)5-7-17/h8-9H,3-7H2,1H3,(H,15,18)
InChIKeyBWCOAUUFEOIMBH-UHFFFAOYSA-N
XLogP-0.04
TPSA80.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
2-[4-(3-hydroxy-2-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 82829148
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
CID 95933968
2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705306
2-[4-(2-methyl-4-nitrobenzoyl)piperazin-1-yl]acetonitrile
CID 63336634
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705329
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]acetonitrile
CID 114369476
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 60970274
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile (CID 103718195) is 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile is Cc1cc(=O)c(C(=O)N2CCN(CC#N)CC2)c[nH]1.
What is the InChIKey of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is BWCOAUUFEOIMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-8-12(18)11(9-15-10)13(19)17-6-4-16(3-2-14)5-7-17/h8-9H,3-7H2,1H3,(H,15,18).
What are the key properties of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile?
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 260.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 103718195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).