CID 145030191

C23H26N5O3 — CID 145030191

IUPAC—
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2[C]2N=NN=N2)cc1)C(CC)C(=O)O
InChIInChI=1S/C23H26N5O3/c1-3-5-10-21(29)28(20(4-2)23(30)31)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)22-24-26-27-25-22/h6-9,11-14,20H,3-5,10,15H2,1-2H3,(H,30,31)
InChIKeyOCOPBYKIMTWDFM-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.41
Rot. Bonds10

About CID 145030191

CID 145030191 (PubChem CID 145030191) has the molecular formula C23H26N5O3 and a molecular weight of 420.49 g/mol.

Molecular Properties

Compound NameCID 145030191
PubChem CID145030191
Molecular FormulaC23H26N5O3
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name—
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2[C]2N=NN=N2)cc1)C(CC)C(=O)O
InChIInChI=1S/C23H26N5O3/c1-3-5-10-21(29)28(20(4-2)23(30)31)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)22-24-26-27-25-22/h6-9,11-14,20H,3-5,10,15H2,1-2H3,(H,30,31)
InChIKeyOCOPBYKIMTWDFM-UHFFFAOYSA-N
XLogP5.41
TPSA107.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 87259889
3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid;hydrobromide
CID 175023269
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid;trihydrate
CID 66677523
calcium;hydride;3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 173007506
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
2-[4-[[[(2S)-1-hydroxy-3-(3H-pyrrol-5-yl)propan-2-yl]-pentanoylamino]methyl]phenyl]benzoic acid
CID 58153796
N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide
CID 149236617
acetic acid;ethyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
CID 175004099
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
(2S)-3-methyl-2-[[4-[2-(2-nitrosotetrazol-5-yl)phenyl]phenyl]methyl-pentanoylamino]butanoic acid
CID 169444524
disodium bis((2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate)
CID 158933885
magnesium bis((2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate)
CID 66676718

Frequently Asked Questions

What is the IUPAC name of CID 145030191?
The IUPAC name of CID 145030191 (CID 145030191) is not available.
What is the SMILES notation for CID 145030191?
The canonical SMILES for CID 145030191 is CCCCC(=O)N(Cc1ccc(-c2ccccc2[C]2N=NN=N2)cc1)C(CC)C(=O)O.
What is the InChIKey of CID 145030191?
The InChIKey is OCOPBYKIMTWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N5O3/c1-3-5-10-21(29)28(20(4-2)23(30)31)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)22-24-26-27-25-22/h6-9,11-14,20H,3-5,10,15H2,1-2H3,(H,30,31).
What are the key properties of CID 145030191?
CID 145030191 has a molecular weight of 420.49 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145030191 is sourced from PubChem (CID 145030191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).