4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid

C20H23N3O4 — CID 23936302

IUPAC4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C20H23N3O4/c1-13(2)10-17(20(26)27)22-18(24)11-14-6-3-4-8-16(14)23-19(25)15-7-5-9-21-12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyCUFNSKBAUGLUBR-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.49
Rot. Bonds8

About 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid

4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid (PubChem CID 23936302) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid
PubChem CID23936302
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C20H23N3O4/c1-13(2)10-17(20(26)27)22-18(24)11-14-6-3-4-8-16(14)23-19(25)15-7-5-9-21-12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyCUFNSKBAUGLUBR-UHFFFAOYSA-N
XLogP2.49
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(1,3-benzodioxole-5-carbonylamino)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 23827284
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid
CID 23827113
2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid (CID 23936302) is 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cccnc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid?
The InChIKey is CUFNSKBAUGLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)10-17(20(26)27)22-18(24)11-14-6-3-4-8-16(14)23-19(25)15-7-5-9-21-12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid?
4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 23936302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).