3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide

C18H25N3O2 — CID 4798537

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H25N3O2/c1-12-15(13(2)20-18(23)16(12)11-19)9-10-17(22)21-14-7-5-3-4-6-8-14/h14H,3-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHHJNRVBAIYHNQQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.64
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide (PubChem CID 4798537) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide
PubChem CID4798537
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H25N3O2/c1-12-15(13(2)20-18(23)16(12)11-19)9-10-17(22)21-14-7-5-3-4-6-8-14/h14H,3-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHHJNRVBAIYHNQQ-UHFFFAOYSA-N
XLogP2.64
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide (CID 4798537) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCCCC1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide?
The InChIKey is HHJNRVBAIYHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-15(13(2)20-18(23)16(12)11-19)9-10-17(22)21-14-7-5-3-4-6-8-14/h14H,3-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide is sourced from PubChem (CID 4798537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).