6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile

C19H24N4O3 — CID 70747234

IUPAC6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-13-16(11-15(12-20)18(25)21-13)19(26)23-9-5-14(6-10-23)4-8-22-7-2-3-17(22)24/h11,14H,2-10H2,1H3,(H,21,25)
InChIKeyKQTCBSBWOSHURM-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.42
Rot. Bonds4

About 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile (PubChem CID 70747234) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
PubChem CID70747234
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-13-16(11-15(12-20)18(25)21-13)19(26)23-9-5-14(6-10-23)4-8-22-7-2-3-17(22)24/h11,14H,2-10H2,1H3,(H,21,25)
InChIKeyKQTCBSBWOSHURM-UHFFFAOYSA-N
XLogP1.42
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile (CID 70747234) is 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
The InChIKey is KQTCBSBWOSHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-16(11-15(12-20)18(25)21-13)19(26)23-9-5-14(6-10-23)4-8-22-7-2-3-17(22)24/h11,14H,2-10H2,1H3,(H,21,25).
What are the key properties of 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70747234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).