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

C20H27N3O3S — CID 86763595

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1)C1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyIRGJOGXZRMFBTE-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.99
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide (PubChem CID 86763595) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
PubChem CID86763595
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1)C1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyIRGJOGXZRMFBTE-UHFFFAOYSA-N
XLogP2.99
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.99
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-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide (CID 86763595) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide is CCN(c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is IRGJOGXZRMFBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.99, 6 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]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 86763595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).