N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C26H28FN5O4 — CID 648902

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccncc2)no1
InChIInChI=1S/C26H28FN5O4/c1-17-16-22(31-36-17)30-23(33)10-11-24(34)32(21-8-6-19(27)7-9-21)25(18-12-14-28-15-13-18)26(35)29-20-4-2-3-5-20/h6-9,12-16,20,25H,2-5,10-11H2,1H3,(H,29,35)(H,30,31,33)
InChIKeyDAFGRRGLRHWZBD-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.07
Rot. Bonds9

About N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 648902) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID648902
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccncc2)no1
InChIInChI=1S/C26H28FN5O4/c1-17-16-22(31-36-17)30-23(33)10-11-24(34)32(21-8-6-19(27)7-9-21)25(18-12-14-28-15-13-18)26(35)29-20-4-2-3-5-20/h6-9,12-16,20,25H,2-5,10-11H2,1H3,(H,29,35)(H,30,31,33)
InChIKeyDAFGRRGLRHWZBD-UHFFFAOYSA-N
XLogP4.07
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 46239964
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide
CID 46861579
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953851
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
CID 71461137
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)isonicotinamide
CID 46883365
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953286
LON-WEI-babf2c61-11
CID 154856959
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-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 649526
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide
CID 655623
N-Butyl-N-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210675

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 648902) is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccncc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is DAFGRRGLRHWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-17-16-22(31-36-17)30-23(33)10-11-24(34)32(21-8-6-19(27)7-9-21)25(18-12-14-28-15-13-18)26(35)29-20-4-2-3-5-20/h6-9,12-16,20,25H,2-5,10-11H2,1H3,(H,29,35)(H,30,31,33).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 493.54 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 648902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).