5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid

C11H13N3O3 — CID 169465798

IUPAC5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
SMILESCC(=O)NCC=Cc1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C11H13N3O3/c1-7(15)13-4-2-3-8-5-9(11(16)17)10(12)14-6-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyGUABISIDCSJVRC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.51
Rot. Bonds4

About 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid

5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid (PubChem CID 169465798) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
PubChem CID169465798
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
SMILESCC(=O)NCC=Cc1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C11H13N3O3/c1-7(15)13-4-2-3-8-5-9(11(16)17)10(12)14-6-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyGUABISIDCSJVRC-UHFFFAOYSA-N
XLogP0.51
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
CID 169469902
4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
CID 170484144
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid?
The IUPAC name of 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid (CID 169465798) is 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid is CC(=O)NCC=Cc1cnc(N)c(C(=O)O)c1.
What is the InChIKey of 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid?
The InChIKey is GUABISIDCSJVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(15)13-4-2-3-8-5-9(11(16)17)10(12)14-6-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid?
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid is sourced from PubChem (CID 169465798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).