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

C25H28N4O2S — CID 3816372

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccncc2)s1
InChIInChI=1S/C25H28N4O2S/c1-17-23(32-18(2)27-17)25(31)29(16-19-8-4-3-5-9-19)22(20-12-14-26-15-13-20)24(30)28-21-10-6-7-11-21/h3-5,8-9,12-15,21-22H,6-7,10-11,16H2,1-2H3,(H,28,30)
InChIKeyMRYNWVZGFCTERE-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.60
Rot. Bonds7

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

N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3816372) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3816372
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccncc2)s1
InChIInChI=1S/C25H28N4O2S/c1-17-23(32-18(2)27-17)25(31)29(16-19-8-4-3-5-9-19)22(20-12-14-26-15-13-20)24(30)28-21-10-6-7-11-21/h3-5,8-9,12-15,21-22H,6-7,10-11,16H2,1-2H3,(H,28,30)
InChIKeyMRYNWVZGFCTERE-UHFFFAOYSA-N
XLogP4.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315394
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 4603905
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 5096296
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 3868737
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-fluorophenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180458
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315464
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3816372) is N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccncc2)s1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MRYNWVZGFCTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-23(32-18(2)27-17)25(31)29(16-19-8-4-3-5-9-19)22(20-12-14-26-15-13-20)24(30)28-21-10-6-7-11-21/h3-5,8-9,12-15,21-22H,6-7,10-11,16H2,1-2H3,(H,28,30).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3816372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).