1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

C18H18N2O4 — CID 122108901

IUPAC1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C18H18N2O4/c21-16(20-12-18(7-8-18)17(22)23)14-1-3-15(4-2-14)24-11-13-5-9-19-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,20,21)(H,22,23)
InChIKeyYOUACJMUDYTISP-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.26
Rot. Bonds7

About 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 122108901) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID122108901
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C18H18N2O4/c21-16(20-12-18(7-8-18)17(22)23)14-1-3-15(4-2-14)24-11-13-5-9-19-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,20,21)(H,22,23)
InChIKeyYOUACJMUDYTISP-UHFFFAOYSA-N
XLogP2.26
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(phenoxymethyl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541584
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
N-(2-hydroxyphenyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 34954288
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75484641
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 122108901) is 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YOUACJMUDYTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16(20-12-18(7-8-18)17(22)23)14-1-3-15(4-2-14)24-11-13-5-9-19-10-6-13/h1-6,9-10H,7-8,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).