4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid

C18H20ClN3O4 — CID 122085773

IUPAC4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H20ClN3O4/c1-18(2,10-9-16(23)24)22-17(25)21-13-4-6-14(7-5-13)26-15-8-3-12(19)11-20-15/h3-8,11H,9-10H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyUAWBFSVSFRQIEH-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.29
Rot. Bonds7

About 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122085773) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122085773
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H20ClN3O4/c1-18(2,10-9-16(23)24)22-17(25)21-13-4-6-14(7-5-13)26-15-8-3-12(19)11-20-15/h3-8,11H,9-10H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyUAWBFSVSFRQIEH-UHFFFAOYSA-N
XLogP4.29
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
4-[[4-(3-methoxy-3-oxopropyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122079578

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122085773) is 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is UAWBFSVSFRQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-18(2,10-9-16(23)24)22-17(25)21-13-4-6-14(7-5-13)26-15-8-3-12(19)11-20-15/h3-8,11H,9-10H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 377.83 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122085773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).