N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C27H32N4O2S — CID 155517715

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2cccc(C)c2C)C(C(=O)NC2CCCCC2)c2cccnc2)s1
InChIInChI=1S/C27H32N4O2S/c1-17-10-8-14-23(18(17)2)31(27(33)25-19(3)29-20(4)34-25)24(21-11-9-15-28-16-21)26(32)30-22-12-6-5-7-13-22/h8-11,14-16,22,24H,5-7,12-13H2,1-4H3,(H,30,32)
InChIKeyHPQXQEKGBOKIPT-UHFFFAOYSA-N
MW476.65 g/mol
LogP5.61
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 155517715) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID155517715
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2cccc(C)c2C)C(C(=O)NC2CCCCC2)c2cccnc2)s1
InChIInChI=1S/C27H32N4O2S/c1-17-10-8-14-23(18(17)2)31(27(33)25-19(3)29-20(4)34-25)24(21-11-9-15-28-16-21)26(32)30-22-12-6-5-7-13-22/h8-11,14-16,22,24H,5-7,12-13H2,1-4H3,(H,30,32)
InChIKeyHPQXQEKGBOKIPT-UHFFFAOYSA-N
XLogP5.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 155517715) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(c2cccc(C)c2C)C(C(=O)NC2CCCCC2)c2cccnc2)s1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HPQXQEKGBOKIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-17-10-8-14-23(18(17)2)31(27(33)25-19(3)29-20(4)34-25)24(21-11-9-15-28-16-21)26(32)30-22-12-6-5-7-13-22/h8-11,14-16,22,24H,5-7,12-13H2,1-4H3,(H,30,32).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 476.65 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155517715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).