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

C25H35N5O4 — CID 644716

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1
InChIInChI=1S/C25H35N5O4/c1-17(2)12-14-30(23(32)11-10-22(31)28-21-15-18(3)34-29-21)24(19-7-6-13-26-16-19)25(33)27-20-8-4-5-9-20/h6-7,13,15-17,20,24H,4-5,8-12,14H2,1-3H3,(H,27,33)(H,28,29,31)
InChIKeyHSJZTHPOETYPFE-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.77
Rot. Bonds11

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

N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 644716) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID644716
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1
InChIInChI=1S/C25H35N5O4/c1-17(2)12-14-30(23(32)11-10-22(31)28-21-15-18(3)34-29-21)24(19-7-6-13-26-16-19)25(33)27-20-8-4-5-9-20/h6-7,13,15-17,20,24H,4-5,8-12,14H2,1-3H3,(H,27,33)(H,28,29,31)
InChIKeyHSJZTHPOETYPFE-UHFFFAOYSA-N
XLogP3.77
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 644716) is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is HSJZTHPOETYPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-17(2)12-14-30(23(32)11-10-22(31)28-21-15-18(3)34-29-21)24(19-7-6-13-26-16-19)25(33)27-20-8-4-5-9-20/h6-7,13,15-17,20,24H,4-5,8-12,14H2,1-3H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 469.59 g/mol, XLogP of 3.77, 11 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-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).