2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H29N5O3 — CID 18272639

IUPAC2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C20H29N5O3/c1-13(2)22-18(26)12-24-7-9-25(10-8-24)19(27)6-5-16-14(3)17(11-21)20(28)23-15(16)4/h13H,5-10,12H2,1-4H3,(H,22,26)(H,23,28)
InChIKeyDCWXHWPSLMPSQY-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.46
Rot. Bonds6

About 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18272639) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18272639
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C20H29N5O3/c1-13(2)22-18(26)12-24-7-9-25(10-8-24)19(27)6-5-16-14(3)17(11-21)20(28)23-15(16)4/h13H,5-10,12H2,1-4H3,(H,22,26)(H,23,28)
InChIKeyDCWXHWPSLMPSQY-UHFFFAOYSA-N
XLogP0.46
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 18272639) is 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DCWXHWPSLMPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13(2)22-18(26)12-24-7-9-25(10-8-24)19(27)6-5-16-14(3)17(11-21)20(28)23-15(16)4/h13H,5-10,12H2,1-4H3,(H,22,26)(H,23,28).
What are the key properties of 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 387.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).