N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide

C23H31N3O3S — CID 123187472

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide (PubChem CID 123187472) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
• PubChem CID: 123187472
• Molecular Formula: C23H31N3O3S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.21
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
• SMILES: CC=C(CCN1CCOCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
• InChI: InChI=1S/C23H31N3O3S/c1-5-18(6-7-26-8-10-29-11-9-26)21-17(4)20(14-30-21)22(27)24-13-19-15(2)12-16(3)25-23(19)28/h5,12,14H,6-11,13H2,1-4H3,(H,24,27)(H,25,28)
• InChIKey: RQHHTQQZIPZYKU-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide (CID 123187472) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide is CC=C(CCN1CCOCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide?

The InChIKey is RQHHTQQZIPZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-5-18(6-7-26-8-10-29-11-9-26)21-17(4)20(14-30-21)22(27)24-13-19-15(2)12-16(3)25-23(19)28/h5,12,14H,6-11,13H2,1-4H3,(H,24,27)(H,25,28).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 123187472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).