methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate

C14H23N3O2 — CID 115352651

IUPACmethyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(N(CC)CC)nc1)C(=O)OC
InChIInChI=1S/C14H23N3O2/c1-5-12(14(18)19-4)16-11-8-9-13(15-10-11)17(6-2)7-3/h8-10,12,16H,5-7H2,1-4H3
InChIKeyIELJPQOSVAOGMO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds7

About methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate

methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate (PubChem CID 115352651) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
PubChem CID115352651
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
SMILESCCC(Nc1ccc(N(CC)CC)nc1)C(=O)OC
InChIInChI=1S/C14H23N3O2/c1-5-12(14(18)19-4)16-11-8-9-13(15-10-11)17(6-2)7-3/h8-10,12,16H,5-7H2,1-4H3
InChIKeyIELJPQOSVAOGMO-UHFFFAOYSA-N
XLogP2.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
3-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methoxypropanamide
CID 106111585
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
methyl (2R)-2-anilinobutanoate
CID 51891380
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate
CID 115352842
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate?
The IUPAC name of methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate (CID 115352651) is methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate is CCC(Nc1ccc(N(CC)CC)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate?
The InChIKey is IELJPQOSVAOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-12(14(18)19-4)16-11-8-9-13(15-10-11)17(6-2)7-3/h8-10,12,16H,5-7H2,1-4H3.
What are the key properties of methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate?
methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate has a molecular weight of 265.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate is sourced from PubChem (CID 115352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).