6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid

C20H23N3O5 — CID 119180806

IUPAC6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C20H23N3O5/c1-4-14(22-19(25)15-9-7-10-16(21-15)20(26)27)13-8-5-6-11-17(13)28-12-18(24)23(2)3/h5-11,14H,4,12H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyMGDQOGLLLGRCPF-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.13
Rot. Bonds8

About 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid

6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180806) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119180806
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C20H23N3O5/c1-4-14(22-19(25)15-9-7-10-16(21-15)20(26)27)13-8-5-6-11-17(13)28-12-18(24)23(2)3/h5-11,14H,4,12H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyMGDQOGLLLGRCPF-UHFFFAOYSA-N
XLogP2.13
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55901941
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
CID 55957713
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
CID 55902579
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 55901297
2-[1-(2-ethoxyphenyl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122056291
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
CID 60534764
2-(2,4-dimethoxyphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]acetamide
CID 55901043

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid (CID 119180806) is 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid is CCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MGDQOGLLLGRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-14(22-19(25)15-9-7-10-16(21-15)20(26)27)13-8-5-6-11-17(13)28-12-18(24)23(2)3/h5-11,14H,4,12H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid?
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).