N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide

C25H33N5O5 — CID 3210754

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2cccnc2)no1
InChIInChI=1S/C25H33N5O5/c1-17-14-21(29-35-17)28-22(31)10-11-23(32)30(16-20-9-5-13-34-20)24(18-6-4-12-26-15-18)25(33)27-19-7-2-3-8-19/h4,6,12,14-15,19-20,24H,2-3,5,7-11,13,16H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyVZSODILOJVVEDC-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.90
Rot. Bonds10

About N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide (PubChem CID 3210754) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
PubChem CID3210754
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2cccnc2)no1
InChIInChI=1S/C25H33N5O5/c1-17-14-21(29-35-17)28-22(31)10-11-23(32)30(16-20-9-5-13-34-20)24(18-6-4-12-26-15-18)25(33)27-19-7-2-3-8-19/h4,6,12,14-15,19-20,24H,2-3,5,7-11,13,16H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyVZSODILOJVVEDC-UHFFFAOYSA-N
XLogP2.90
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-p-tolyl-succinamide
CID 645638
N-(5-Methyl-isoxazol-3-yl)-N'-phenyl-N'-{pyridin-3-yl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 645903
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide
CID 655623
N-(3-Methyl-butyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-o-tolyl-methyl}-succinamide
CID 3210801
N''-(2-furanylmethyl)-N-(5-methyl-3-isoxazolyl)-N''-[2-oxo-2-(2-oxolanylmethylamino)-1-pyridin-4-ylethyl]butanediamide
CID 3210804
LON-WEI-babf2c61-10
CID 154856958
N-[Cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-N-pyridin-3-yl-succinamide
CID 653454
N-(Cyclopentylcarbamoyl-pyridin-3-yl-methyl)-N-(3-methyl-butyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 644716
N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-m-tolyl-succinamide
CID 646080
N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N-(4-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 648902
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-pyridin-3-yl-succinamide
CID 652444
N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N-(3-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 654425

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide (CID 3210754) is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2cccnc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
The InChIKey is VZSODILOJVVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-17-14-21(29-35-17)28-22(31)10-11-23(32)30(16-20-9-5-13-34-20)24(18-6-4-12-26-15-18)25(33)27-19-7-2-3-8-19/h4,6,12,14-15,19-20,24H,2-3,5,7-11,13,16H2,1H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide has a molecular weight of 483.57 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 3210754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).