N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide

C26H29N5O4 — CID 652444

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C26H29N5O4/c1-18-16-22(30-35-18)29-23(32)13-14-24(33)31(21-12-7-15-27-17-21)25(19-8-3-2-4-9-19)26(34)28-20-10-5-6-11-20/h2-4,7-9,12,15-17,20,25H,5-6,10-11,13-14H2,1H3,(H,28,34)(H,29,30,32)
InChIKeyCDHHSVARLPVKDN-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.93
Rot. Bonds9

About N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide (PubChem CID 652444) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide
PubChem CID652444
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C26H29N5O4/c1-18-16-22(30-35-18)29-23(32)13-14-24(33)31(21-12-7-15-27-17-21)25(19-8-3-2-4-9-19)26(34)28-20-10-5-6-11-20/h2-4,7-9,12,15-17,20,25H,5-6,10-11,13-14H2,1H3,(H,28,34)(H,29,30,32)
InChIKeyCDHHSVARLPVKDN-UHFFFAOYSA-N
XLogP3.93
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyridine-2-carboxamide
CID 60055686
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
CID 71461137
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 54761337
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'-[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
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N-(4-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210703
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 3210707
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-o-tolyl-succinamide
CID 3210708

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide (CID 652444) is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide is Cc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide?
The InChIKey is CDHHSVARLPVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-18-16-22(30-35-18)29-23(32)13-14-24(33)31(21-12-7-15-27-17-21)25(19-8-3-2-4-9-19)26(34)28-20-10-5-6-11-20/h2-4,7-9,12,15-17,20,25H,5-6,10-11,13-14H2,1H3,(H,28,34)(H,29,30,32).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide has a molecular weight of 475.55 g/mol, XLogP of 3.93, 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-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-pyridin-3-ylbutanediamide is sourced from PubChem (CID 652444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).