6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid

C20H27N3O2 — CID 122053761

IUPAC6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(CNc1cccc(C(=O)O)n1)NC(C)c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-14(2)12-17(22-15(3)16-8-5-4-6-9-16)13-21-19-11-7-10-18(23-19)20(24)25/h4-11,14-15,17,22H,12-13H2,1-3H3,(H,21,23)(H,24,25)
InChIKeySGYJGOYHGXFXLL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.96
Rot. Bonds9

About 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid

6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid (PubChem CID 122053761) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
PubChem CID122053761
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(CNc1cccc(C(=O)O)n1)NC(C)c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-14(2)12-17(22-15(3)16-8-5-4-6-9-16)13-21-19-11-7-10-18(23-19)20(24)25/h4-11,14-15,17,22H,12-13H2,1-3H3,(H,21,23)(H,24,25)
InChIKeySGYJGOYHGXFXLL-UHFFFAOYSA-N
XLogP3.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
CID 71875258
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
1-(2-methoxyethyl)-3-[(2S)-4-methyl-2-[[(1R)-1-phenylethyl]amino]pentyl]urea
CID 95772665
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
6-[(2-methoxy-2-phenylacetyl)amino]pyridine-2-carboxylic acid
CID 63641845

Frequently Asked Questions

What is the IUPAC name of 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid (CID 122053761) is 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid is CC(C)CC(CNc1cccc(C(=O)O)n1)NC(C)c1ccccc1.
What is the InChIKey of 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SGYJGOYHGXFXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)12-17(22-15(3)16-8-5-4-6-9-16)13-21-19-11-7-10-18(23-19)20(24)25/h4-11,14-15,17,22H,12-13H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid?
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid has a molecular weight of 341.46 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).