2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C18H19N5O2 — CID 70707308

IUPAC2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-12-10-13(2)21-17(24)15(12)18(25)23-8-6-22(7-9-23)16-14(11-19)4-3-5-20-16/h3-5,10H,6-9H2,1-2H3,(H,21,24)
InChIKeyZPMPEBVNLZHABH-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.22
Rot. Bonds2

About 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 70707308) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID70707308
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-12-10-13(2)21-17(24)15(12)18(25)23-8-6-22(7-9-23)16-14(11-19)4-3-5-20-16/h3-5,10H,6-9H2,1-2H3,(H,21,24)
InChIKeyZPMPEBVNLZHABH-UHFFFAOYSA-N
XLogP1.22
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
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2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
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2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
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2-[4-(1-methyl-5-phenylpyrrole-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
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2-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
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CID 78889228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 70707308) is 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1.
What is the InChIKey of 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZPMPEBVNLZHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-10-13(2)21-17(24)15(12)18(25)23-8-6-22(7-9-23)16-14(11-19)4-3-5-20-16/h3-5,10H,6-9H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70707308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).