5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid

C17H19N3O3 — CID 53093967

IUPAC5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)c1ncc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C17H19N3O3/c1-3-20(11-13-7-5-4-6-8-13)16-15(17(22)23)9-14(10-18-16)19-12(2)21/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyHNULRGKYCOLQAC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.76
Rot. Bonds6

About 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid

5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid (PubChem CID 53093967) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
PubChem CID53093967
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)c1ncc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C17H19N3O3/c1-3-20(11-13-7-5-4-6-8-13)16-15(17(22)23)9-14(10-18-16)19-12(2)21/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyHNULRGKYCOLQAC-UHFFFAOYSA-N
XLogP2.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53001970
2-[benzyl(ethyl)amino]-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024510
2-[benzyl(ethyl)amino]-5-[(3-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054311
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
2-[benzyl(butyl)amino]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054660
2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
CID 53094042
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid (CID 53093967) is 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid is CCN(Cc1ccccc1)c1ncc(NC(C)=O)cc1C(=O)O.
What is the InChIKey of 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is HNULRGKYCOLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-20(11-13-7-5-4-6-8-13)16-15(17(22)23)9-14(10-18-16)19-12(2)21/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid?
5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53093967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).