methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate

C16H19N3O2 — CID 170630320

IUPACmethyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
SMILESCOC(=O)CCc1ccnc(-c2cc(N(C)C)ccn2)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)13-7-9-18-15(11-13)14-10-12(6-8-17-14)4-5-16(20)21-3/h6-11H,4-5H2,1-3H3
InChIKeyZSDZLWDJVXSWIT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds5

About methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate

methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate (PubChem CID 170630320) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
PubChem CID170630320
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
SMILESCOC(=O)CCc1ccnc(-c2cc(N(C)C)ccn2)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)13-7-9-18-15(11-13)14-10-12(6-8-17-14)4-5-16(20)21-3/h6-11H,4-5H2,1-3H3
InChIKeyZSDZLWDJVXSWIT-UHFFFAOYSA-N
XLogP2.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
CID 170630375
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
3-[2-[methoxycarbonyl(methyl)amino]-4-pyridinyl]propanoic acid
CID 175528618
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
CID 87813466
2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate?
The IUPAC name of methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate (CID 170630320) is methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate is COC(=O)CCc1ccnc(-c2cc(N(C)C)ccn2)c1.
What is the InChIKey of methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate?
The InChIKey is ZSDZLWDJVXSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)13-7-9-18-15(11-13)14-10-12(6-8-17-14)4-5-16(20)21-3/h6-11H,4-5H2,1-3H3.
What are the key properties of methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate?
methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate has a molecular weight of 285.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate is sourced from PubChem (CID 170630320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).