4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid

C20H27N3O2 — CID 122073369

IUPAC4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNCc1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H27N3O2/c1-15(2)11-17(20(24)25)14-21-12-16-9-10-19(22-13-16)23(3)18-7-5-4-6-8-18/h4-10,13,15,17,21H,11-12,14H2,1-3H3,(H,24,25)
InChIKeyFMEDJAVTMYOBJB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.69
Rot. Bonds9

About 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid

4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid (PubChem CID 122073369) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid
PubChem CID122073369
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNCc1ccc(N(C)c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H27N3O2/c1-15(2)11-17(20(24)25)14-21-12-16-9-10-19(22-13-16)23(3)18-7-5-4-6-8-18/h4-10,13,15,17,21H,11-12,14H2,1-3H3,(H,24,25)
InChIKeyFMEDJAVTMYOBJB-UHFFFAOYSA-N
XLogP3.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
CID 122037106
2-methyl-3-[methyl-[[6-(N-methylanilino)-3-pyridinyl]methyl]amino]propanoic acid
CID 122047069
2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128204
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962078
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
4-methyl-2-[[3-(6-methyl-3-pyridinyl)propylamino]methyl]pentanoic acid
CID 122127950
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid (CID 122073369) is 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid is CC(C)CC(CNCc1ccc(N(C)c2ccccc2)nc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid?
The InChIKey is FMEDJAVTMYOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)11-17(20(24)25)14-21-12-16-9-10-19(22-13-16)23(3)18-7-5-4-6-8-18/h4-10,13,15,17,21H,11-12,14H2,1-3H3,(H,24,25).
What are the key properties of 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid?
4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid has a molecular weight of 341.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid is sourced from PubChem (CID 122073369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).