3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid

C15H17N3O2 — CID 170630375

IUPAC3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
SMILESCN(C)c1ccnc(-c2cc(CCC(=O)O)ccn2)c1
InChIInChI=1S/C15H17N3O2/c1-18(2)12-6-8-17-14(10-12)13-9-11(5-7-16-13)3-4-15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyUAMARFCPZICLJS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds5

About 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid

3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid (PubChem CID 170630375) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
PubChem CID170630375
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
SMILESCN(C)c1ccnc(-c2cc(CCC(=O)O)ccn2)c1
InChIInChI=1S/C15H17N3O2/c1-18(2)12-6-8-17-14(10-12)13-9-11(5-7-16-13)3-4-15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyUAMARFCPZICLJS-UHFFFAOYSA-N
XLogP2.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
CID 170630320
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
CID 175528618
3-[2-[4-(2-carboxyethyl)-2-pyridinyl]-4-pyridinyl]-4-ethoxy-4-oxobutanoic acid
CID 67602462
5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
CID 140718230
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
2-[4-(dimethylamino)phenyl]-N,N-dimethylpyridin-4-amine
CID 54101917
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid (CID 170630375) is 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid is CN(C)c1ccnc(-c2cc(CCC(=O)O)ccn2)c1.
What is the InChIKey of 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid?
The InChIKey is UAMARFCPZICLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)12-6-8-17-14(10-12)13-9-11(5-7-16-13)3-4-15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid?
3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid is sourced from PubChem (CID 170630375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).