N-[(4,6-dimethyl-2-oxo-1H-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

C27H38N4O3S — CID 86764147

IUPACN-[(4,6-dimethyl-2-oxo-1H-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
SMILESCCN(c1sc(C2=CCN(C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C27H38N4O3S/c1-6-31(21-9-13-34-14-10-21)27-19(4)23(24(35-27)20-7-11-30(5)12-8-20)26(33)28-16-22-17(2)15-18(3)29-25(22)32/h7,15,21H,6,8-14,16H2,1-5H3,(H,28,33)(H,29,32)
InChIKeyFKYAPDCGLJNLJY-UHFFFAOYSA-N
MW498.69 g/mol
LogP4.02
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-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

N-[(4,6-dimethyl-2-oxo-1H-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 (PubChem CID 86764147) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-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.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-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
PubChem CID86764147
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-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
SMILESCCN(c1sc(C2=CCN(C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C27H38N4O3S/c1-6-31(21-9-13-34-14-10-21)27-19(4)23(24(35-27)20-7-11-30(5)12-8-20)26(33)28-16-22-17(2)15-18(3)29-25(22)32/h7,15,21H,6,8-14,16H2,1-5H3,(H,28,33)(H,29,32)
InChIKeyFKYAPDCGLJNLJY-UHFFFAOYSA-N
XLogP4.02
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-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 86764147) is N-[(4,6-dimethyl-2-oxo-1H-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.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-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?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-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 is CCN(c1sc(C2=CCN(C)CC2)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-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?
The InChIKey is FKYAPDCGLJNLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-6-31(21-9-13-34-14-10-21)27-19(4)23(24(35-27)20-7-11-30(5)12-8-20)26(33)28-16-22-17(2)15-18(3)29-25(22)32/h7,15,21H,6,8-14,16H2,1-5H3,(H,28,33)(H,29,32).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-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?
N-[(4,6-dimethyl-2-oxo-1H-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 has a molecular weight of 498.69 g/mol, XLogP of 4.02, 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-1H-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 is sourced from PubChem (CID 86764147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).