N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide

C25H36N4O3S — CID 131954033

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCN(c1sc(C2CCNC2)c(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCOCC1
InChIInChI=1S/C25H36N4O3S/c1-5-29(19-7-10-32-11-8-19)25-17(4)21(22(33-25)18-6-9-26-13-18)24(31)27-14-20-15(2)12-16(3)28-23(20)30/h12,18-20,26H,5-11,13-14H2,1-4H3,(H,27,31)
InChIKeyYNHFDGQSAKFREV-UHFFFAOYSA-N
MW472.66 g/mol
LogP3.43
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide (PubChem CID 131954033) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide
PubChem CID131954033
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCCN(c1sc(C2CCNC2)c(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCOCC1
InChIInChI=1S/C25H36N4O3S/c1-5-29(19-7-10-32-11-8-19)25-17(4)21(22(33-25)18-6-9-26-13-18)24(31)27-14-20-15(2)12-16(3)28-23(20)30/h12,18-20,26H,5-11,13-14H2,1-4H3,(H,27,31)
InChIKeyYNHFDGQSAKFREV-UHFFFAOYSA-N
XLogP3.43
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxamide
CID 131953985
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]thiophene-3-carboxamide
CID 131954002
2-cyano-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 131954026
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2,4-dimethylthiophene-3-carboxamide
CID 131954029
2-cyano-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 131954030
tert-butyl 3-[3-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-2-yl]pyrrolidine-1-carboxylate
CID 131954032
tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-2-yl]piperidine-1-carboxylate
CID 131954034
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-piperidin-4-ylthiophene-3-carboxamide
CID 131954035
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-3-carboxamide
CID 131954036
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)thiophene-3-carboxamide
CID 131954037
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 131954038
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
CID 131954010

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide (CID 131954033) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide is CCN(c1sc(C2CCNC2)c(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide?
The InChIKey is YNHFDGQSAKFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-5-29(19-7-10-32-11-8-19)25-17(4)21(22(33-25)18-6-9-26-13-18)24(31)27-14-20-15(2)12-16(3)28-23(20)30/h12,18-20,26H,5-11,13-14H2,1-4H3,(H,27,31).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide has a molecular weight of 472.66 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 131954033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).