5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H21N5O2 — CID 70716205

IUPAC5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)CC2)cc(C)n1
InChIInChI=1S/C19H21N5O2/c1-12-8-15(9-13(2)22-12)23-4-6-24(7-5-23)19(26)17-11-21-18(25)16(10-20)14(17)3/h8-9,11H,4-7H2,1-3H3,(H,21,25)
InChIKeySBFWQTRPLTXPQQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.53
Rot. Bonds2

About 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70716205) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70716205
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)CC2)cc(C)n1
InChIInChI=1S/C19H21N5O2/c1-12-8-15(9-13(2)22-12)23-4-6-24(7-5-23)19(26)17-11-21-18(25)16(10-20)14(17)3/h8-9,11H,4-7H2,1-3H3,(H,21,25)
InChIKeySBFWQTRPLTXPQQ-UHFFFAOYSA-N
XLogP1.53
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70716205) is 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)CC2)cc(C)n1.
What is the InChIKey of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SBFWQTRPLTXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-8-15(9-13(2)22-12)23-4-6-24(7-5-23)19(26)17-11-21-18(25)16(10-20)14(17)3/h8-9,11H,4-7H2,1-3H3,(H,21,25).
What are the key properties of 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70716205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).