3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide

C19H23N3O3 — CID 18162533

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide (PubChem CID 18162533) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
• PubChem CID: 18162533
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)CCc1ccco1
• InChI: InChI=1S/C19H23N3O3/c1-12(6-7-15-5-4-10-25-15)21-18(23)9-8-16-13(2)17(11-20)19(24)22-14(16)3/h4-5,10,12H,6-9H2,1-3H3,(H,21,23)(H,22,24)
• InChIKey: CGJDHLDZGLSCPN-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide (CID 18162533) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)CCc1ccco1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?

The InChIKey is CGJDHLDZGLSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(6-7-15-5-4-10-25-15)21-18(23)9-8-16-13(2)17(11-20)19(24)22-14(16)3/h4-5,10,12H,6-9H2,1-3H3,(H,21,23)(H,22,24).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-[4-(furan-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 18162533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).