N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide

C26H37N5O3S — CID 3212289

IUPACN'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCCC2)c2ccncc2)n1
InChIInChI=1S/C26H37N5O3S/c1-18(2)13-16-31(23(33)10-9-22(32)30-26-28-19(3)17-35-26)24(20-11-14-27-15-12-20)25(34)29-21-7-5-4-6-8-21/h11-12,14-15,17-18,21,24H,4-10,13,16H2,1-3H3,(H,29,34)(H,28,30,32)
InChIKeyGSCNOLJLVZVFGI-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.63
Rot. Bonds11

About N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide

N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide (PubChem CID 3212289) has the molecular formula C26H37N5O3S and a molecular weight of 499.68 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
PubChem CID3212289
Molecular FormulaC26H37N5O3S
Molecular Weight499.68 g/mol
Exact Mass499.26
IUPAC NameN'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCCC2)c2ccncc2)n1
InChIInChI=1S/C26H37N5O3S/c1-18(2)13-16-31(23(33)10-9-22(32)30-26-28-19(3)17-35-26)24(20-11-14-27-15-12-20)25(34)29-21-7-5-4-6-8-21/h11-12,14-15,17-18,21,24H,4-10,13,16H2,1-3H3,(H,29,34)(H,28,30,32)
InChIKeyGSCNOLJLVZVFGI-UHFFFAOYSA-N
XLogP4.63
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 40624527
N'-butyl-N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 3210748
N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide;oxalic acid
CID 175654234
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219338
2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
N'-[(1S)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 40901737
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
CID 163155340

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide (CID 3212289) is N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide is Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCCC2)c2ccncc2)n1.
What is the InChIKey of N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The InChIKey is GSCNOLJLVZVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3S/c1-18(2)13-16-31(23(33)10-9-22(32)30-26-28-19(3)17-35-26)24(20-11-14-27-15-12-20)25(34)29-21-7-5-4-6-8-21/h11-12,14-15,17-18,21,24H,4-10,13,16H2,1-3H3,(H,29,34)(H,28,30,32).
What are the key properties of N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide has a molecular weight of 499.68 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-methylbutyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3212289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).