1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid

C18H18N2O4 — CID 120530535

IUPAC1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)NC3(C(=O)O)CC3)c2)cn1
InChIInChI=1S/C18H18N2O4/c1-12-5-6-15(10-19-12)24-11-13-3-2-4-14(9-13)16(21)20-18(7-8-18)17(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyKUIZBHGMZMRAJN-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.32
Rot. Bonds6

About 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid

1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 120530535) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID120530535
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)NC3(C(=O)O)CC3)c2)cn1
InChIInChI=1S/C18H18N2O4/c1-12-5-6-15(10-19-12)24-11-13-3-2-4-14(9-13)16(21)20-18(7-8-18)17(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyKUIZBHGMZMRAJN-UHFFFAOYSA-N
XLogP2.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
CID 119360777
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 86950753
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119355401
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116
(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
CID 120536231
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid (CID 120530535) is 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid is Cc1ccc(OCc2cccc(C(=O)NC3(C(=O)O)CC3)c2)cn1.
What is the InChIKey of 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is KUIZBHGMZMRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-5-6-15(10-19-12)24-11-13-3-2-4-14(9-13)16(21)20-18(7-8-18)17(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid?
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).