5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid

C11H14N2O2 — CID 170495822

IUPAC5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
SMILESCNCCC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N2O2/c1-12-7-3-2-4-9-5-6-10(11(14)15)13-8-9/h2,4-6,8,12H,3,7H2,1H3,(H,14,15)
InChIKeyUTVACFJKMFFYKF-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.40
Rot. Bonds5

About 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid

5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid (PubChem CID 170495822) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
PubChem CID170495822
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
SMILESCNCCC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N2O2/c1-12-7-3-2-4-9-5-6-10(11(14)15)13-8-9/h2,4-6,8,12H,3,7H2,1H3,(H,14,15)
InChIKeyUTVACFJKMFFYKF-UHFFFAOYSA-N
XLogP1.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloroprop-1-enyl)pyridine-2-carboxylic acid
CID 169477398
5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
CID 169463626
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
2-chloro-5-[4-(methylamino)but-1-enyl]pyridine-3-carboxylic acid
CID 170496138
2,6-dimethyl-4-[4-(methylamino)but-1-enyl]benzoic acid
CID 170496278
6-[4-(methylamino)but-1-enyl]naphthalene-2-carboxylic acid
CID 170496678
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
(E)-3-[4-[4-(methylamino)but-1-enyl]phenyl]prop-2-enal
CID 170496048
4-(6-acetyl-3-pyridinyl)but-3-enal
CID 170481951
5-methyl-3-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
CID 170496168
4-[4-(methylamino)but-1-enyl]thiophene-2-carboxylic acid
CID 170495337
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid (CID 170495822) is 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid is CNCCC=Cc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid?
The InChIKey is UTVACFJKMFFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-7-3-2-4-9-5-6-10(11(14)15)13-8-9/h2,4-6,8,12H,3,7H2,1H3,(H,14,15).
What are the key properties of 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid?
5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170495822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).