3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H22N4O4 — CID 122091036

IUPAC3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1
InChIInChI=1S/C16H22N4O4/c1-16(14(21)22)4-5-20(11-16)15(23)18-13-3-2-12(10-17-13)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,21,22)(H,17,18,23)
InChIKeyANCDHWZLDWEZLE-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.25
Rot. Bonds3

About 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122091036) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122091036
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1
InChIInChI=1S/C16H22N4O4/c1-16(14(21)22)4-5-20(11-16)15(23)18-13-3-2-12(10-17-13)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,21,22)(H,17,18,23)
InChIKeyANCDHWZLDWEZLE-UHFFFAOYSA-N
XLogP1.25
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122102923
3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094745
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
1-amino-N-(5-morpholin-4-yl-2-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842025
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122095095
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122091036) is 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc(N3CCOCC3)cn2)C1.
What is the InChIKey of 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ANCDHWZLDWEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-16(14(21)22)4-5-20(11-16)15(23)18-13-3-2-12(10-17-13)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,21,22)(H,17,18,23).
What are the key properties of 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).