2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid

C15H22N2O2 — CID 130361688

IUPAC2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid
SMILESC/C(=C\NC(C)c1cc(C(=O)O)ccn1)CC(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)7-11(3)9-17-12(4)14-8-13(15(18)19)5-6-16-14/h5-6,8-10,12,17H,7H2,1-4H3,(H,18,19)/b11-9+
InChIKeyZZVZXSQKQBKHSK-PKNBQFBNSA-N
MW262.35 g/mol
LogP3.38
Rot. Bonds6

About 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid

2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid (PubChem CID 130361688) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid
PubChem CID130361688
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid
SMILESC/C(=C\NC(C)c1cc(C(=O)O)ccn1)CC(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)7-11(3)9-17-12(4)14-8-13(15(18)19)5-6-16-14/h5-6,8-10,12,17H,7H2,1-4H3,(H,18,19)/b11-9+
InChIKeyZZVZXSQKQBKHSK-PKNBQFBNSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid (CID 130361688) is 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid is C/C(=C\NC(C)c1cc(C(=O)O)ccn1)CC(C)C.
What is the InChIKey of 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid?
The InChIKey is ZZVZXSQKQBKHSK-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)7-11(3)9-17-12(4)14-8-13(15(18)19)5-6-16-14/h5-6,8-10,12,17H,7H2,1-4H3,(H,18,19)/b11-9+.
What are the key properties of 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid?
2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 130361688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).