3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid

C19H25N3O2 — CID 82309723

IUPAC3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(Nc2ccc(N(C)C)nc2)C(C)C(=O)O)cc1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-15(8-6-13)11-17(14(2)19(23)24)21-16-9-10-18(20-12-16)22(3)4/h5-10,12,14,17,21H,11H2,1-4H3,(H,23,24)
InChIKeyMVUIIYNRWXJOLY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.20
Rot. Bonds7

About 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid

3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid (PubChem CID 82309723) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid
PubChem CID82309723
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(Nc2ccc(N(C)C)nc2)C(C)C(=O)O)cc1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-15(8-6-13)11-17(14(2)19(23)24)21-16-9-10-18(20-12-16)22(3)4/h5-10,12,14,17,21H,11H2,1-4H3,(H,23,24)
InChIKeyMVUIIYNRWXJOLY-UHFFFAOYSA-N
XLogP3.20
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
CID 82310226
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methylhex-5-enoic acid
CID 82309792
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690375
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
5-N-(1-aminopropan-2-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 103388254
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 30273537
2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(3-methylphenyl)acetic acid
CID 167884017
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
(2S,3S)-4-(4-fluoroanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 764190
2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid?
The IUPAC name of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid (CID 82309723) is 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid?
The canonical SMILES for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid is Cc1ccc(CC(Nc2ccc(N(C)C)nc2)C(C)C(=O)O)cc1.
What is the InChIKey of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid?
The InChIKey is MVUIIYNRWXJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-7-15(8-6-13)11-17(14(2)19(23)24)21-16-9-10-18(20-12-16)22(3)4/h5-10,12,14,17,21H,11H2,1-4H3,(H,23,24).
What are the key properties of 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid?
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid has a molecular weight of 327.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(dimethylamino)-3-pyridinyl]amino]-2-methyl-4-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 82309723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).