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

C24H34N4O2S — CID 131954044

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(N2CCCCC2C2CCNCC2)c1C
InChIInChI=1S/C24H34N4O2S/c1-15-12-16(2)27-23(30)19(15)13-26-22(29)20-14-31-24(17(20)3)28-11-5-4-6-21(28)18-7-9-25-10-8-18/h12,14,18-19,21,25H,4-11,13H2,1-3H3,(H,26,29)
InChIKeySWCNTHWWUDIQFH-UHFFFAOYSA-N
MW442.63 g/mol
LogP3.71
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 131954044) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide
PubChem CID131954044
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(N2CCCCC2C2CCNCC2)c1C
InChIInChI=1S/C24H34N4O2S/c1-15-12-16(2)27-23(30)19(15)13-26-22(29)20-14-31-24(17(20)3)28-11-5-4-6-21(28)18-7-9-25-10-8-18/h12,14,18-19,21,25H,4-11,13H2,1-3H3,(H,26,29)
InChIKeySWCNTHWWUDIQFH-UHFFFAOYSA-N
XLogP3.71
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.71
H-Bond Donors ≤ 52
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-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide (CID 131954044) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(N2CCCCC2C2CCNCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is SWCNTHWWUDIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-15-12-16(2)27-23(30)19(15)13-26-22(29)20-14-31-24(17(20)3)28-11-5-4-6-21(28)18-7-9-25-10-8-18/h12,14,18-19,21,25H,4-11,13H2,1-3H3,(H,26,29).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 3.71, 5 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-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 131954044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).