6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid

C16H25N3O2 — CID 122057810

IUPAC6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)C[C@@H](CN1CCCC1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C16H25N3O2/c1-12(2)10-13(11-19-8-3-4-9-19)17-15-7-5-6-14(18-15)16(20)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,17,18)(H,20,21)/t13-/m0/s1
InChIKeyGTPWHTFXBRPBEK-ZDUSSCGKSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds7

About 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid

6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122057810) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID122057810
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)C[C@@H](CN1CCCC1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C16H25N3O2/c1-12(2)10-13(11-19-8-3-4-9-19)17-15-7-5-6-14(18-15)16(20)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,17,18)(H,20,21)/t13-/m0/s1
InChIKeyGTPWHTFXBRPBEK-ZDUSSCGKSA-N
XLogP2.70
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid (CID 122057810) is 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid is CC(C)C[C@@H](CN1CCCC1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is GTPWHTFXBRPBEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)10-13(11-19-8-3-4-9-19)17-15-7-5-6-14(18-15)16(20)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,17,18)(H,20,21)/t13-/m0/s1.
What are the key properties of 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid?
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).