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

C20H27N3O3S — CID 131954006

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCOCC2)c1C
InChIInChI=1S/C20H27N3O3S/c1-12-9-13(2)22-20(25)16(12)10-21-19(24)17-11-27-18(14(17)3)15(4)23-5-7-26-8-6-23/h9,11,15-16H,5-8,10H2,1-4H3,(H,21,24)
InChIKeyDYRRRLHWDSHMCD-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.74
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide (PubChem CID 131954006) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide
PubChem CID131954006
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCOCC2)c1C
InChIInChI=1S/C20H27N3O3S/c1-12-9-13(2)22-20(25)16(12)10-21-19(24)17-11-27-18(14(17)3)15(4)23-5-7-26-8-6-23/h9,11,15-16H,5-8,10H2,1-4H3,(H,21,24)
InChIKeyDYRRRLHWDSHMCD-UHFFFAOYSA-N
XLogP2.74
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide (CID 131954006) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide?
The InChIKey is DYRRRLHWDSHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-12-9-13(2)22-20(25)16(12)10-21-19(24)17-11-27-18(14(17)3)15(4)23-5-7-26-8-6-23/h9,11,15-16H,5-8,10H2,1-4H3,(H,21,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(1-morpholin-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 131954006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).