3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C18H19N3O4 — CID 122080073

IUPAC3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H19N3O4/c1-18(16(22)23)7-10-21(12-18)17(24)20-13-3-2-4-15(11-13)25-14-5-8-19-9-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyWAFGRZOKJXJNLG-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.20
Rot. Bonds4

About 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122080073) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122080073
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H19N3O4/c1-18(16(22)23)7-10-21(12-18)17(24)20-13-3-2-4-15(11-13)25-14-5-8-19-9-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyWAFGRZOKJXJNLG-UHFFFAOYSA-N
XLogP3.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077887
1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075521
1-[(2-methoxy-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093310
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-(4-methylbenzoyl)-N-(3-pyridin-4-yloxyphenyl)piperidine-1-carboxamide
CID 86940300
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085936
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122080073) is 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)C1.
What is the InChIKey of 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WAFGRZOKJXJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(16(22)23)7-10-21(12-18)17(24)20-13-3-2-4-15(11-13)25-14-5-8-19-9-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122080073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).