1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide

C23H32N4O3S — CID 26363301

IUPAC1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)[C@H](C)c2nccs2)c1=O
InChIInChI=1S/C23H32N4O3S/c1-15(2)12-25-21(29)18-13-27(17-8-6-5-7-9-17)14-19(20(18)28)23(30)26(4)16(3)22-24-10-11-31-22/h10-11,13-17H,5-9,12H2,1-4H3,(H,25,29)/t16-/m1/s1
InChIKeyYDCZCKKRXOKMGS-MRXNPFEDSA-N
MW444.60 g/mol
LogP4.03
Rot. Bonds7

About 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide

1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 26363301) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID26363301
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)[C@H](C)c2nccs2)c1=O
InChIInChI=1S/C23H32N4O3S/c1-15(2)12-25-21(29)18-13-27(17-8-6-5-7-9-17)14-19(20(18)28)23(30)26(4)16(3)22-24-10-11-31-22/h10-11,13-17H,5-9,12H2,1-4H3,(H,25,29)/t16-/m1/s1
InChIKeyYDCZCKKRXOKMGS-MRXNPFEDSA-N
XLogP4.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide (CID 26363301) is 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)[C@H](C)c2nccs2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is YDCZCKKRXOKMGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-15(2)12-25-21(29)18-13-27(17-8-6-5-7-9-17)14-19(20(18)28)23(30)26(4)16(3)22-24-10-11-31-22/h10-11,13-17H,5-9,12H2,1-4H3,(H,25,29)/t16-/m1/s1.
What are the key properties of 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide?
1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 444.60 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26363301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).