2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid

C20H21N3O5 — CID 122055363

IUPAC2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(NC(=O)c3cc(C(=O)O)ccn3)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O5/c1-12-10-23(11-13(2)28-12)19(25)14-3-5-16(6-4-14)22-18(24)17-9-15(20(26)27)7-8-21-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyDTZUHXZNNJHKBU-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.28
Rot. Bonds4

About 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055363) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055363
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(NC(=O)c3cc(C(=O)O)ccn3)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O5/c1-12-10-23(11-13(2)28-12)19(25)14-3-5-16(6-4-14)22-18(24)17-9-15(20(26)27)7-8-21-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyDTZUHXZNNJHKBU-UHFFFAOYSA-N
XLogP2.28
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 51593261
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055790
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975409
1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129466552
4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109090330

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid (CID 122055363) is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid is CC1CN(C(=O)c2ccc(NC(=O)c3cc(C(=O)O)ccn3)cc2)CC(C)O1.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is DTZUHXZNNJHKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-10-23(11-13(2)28-12)19(25)14-3-5-16(6-4-14)22-18(24)17-9-15(20(26)27)7-8-21-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 383.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).