ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate

C19H25N3O3 — CID 58545024

IUPACethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccccn1)c1cc(=O)cc[nH]1
InChIInChI=1S/C19H25N3O3/c1-2-25-19(24)10-5-3-4-8-14-22(17-9-6-7-12-20-17)18-15-16(23)11-13-21-18/h6-7,9,11-13,15H,2-5,8,10,14H2,1H3,(H,21,23)
InChIKeyJBLSZGHRVHQJOF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.42
Rot. Bonds10

About ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate

ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate (PubChem CID 58545024) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
PubChem CID58545024
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate
SMILESCCOC(=O)CCCCCCN(c1ccccn1)c1cc(=O)cc[nH]1
InChIInChI=1S/C19H25N3O3/c1-2-25-19(24)10-5-3-4-8-14-22(17-9-6-7-12-20-17)18-15-16(23)11-13-21-18/h6-7,9,11-13,15H,2-5,8,10,14H2,1H3,(H,21,23)
InChIKeyJBLSZGHRVHQJOF-UHFFFAOYSA-N
XLogP3.42
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-oxooctyl(pyridin-2-yl)amino]-1H-pyridin-4-one
CID 91269283
ethyl 7-[(5-methyl-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348233
ethyl 7-[[5-(4-fluorophenyl)-2-pyridinyl]-pyridin-2-ylamino]heptanoate
CID 58545049
ethyl 7-[(6-phenylmethoxy-3-pyridinyl)-pyridin-2-ylamino]heptanoate
CID 90348242
ethyl 7-[di(pyrazin-2-yl)amino]heptanoate
CID 121304888
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
CID 162221283
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate?
The IUPAC name of ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate (CID 58545024) is ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate.
What is the SMILES notation for ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate?
The canonical SMILES for ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate is CCOC(=O)CCCCCCN(c1ccccn1)c1cc(=O)cc[nH]1.
What is the InChIKey of ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate?
The InChIKey is JBLSZGHRVHQJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-25-19(24)10-5-3-4-8-14-22(17-9-6-7-12-20-17)18-15-16(23)11-13-21-18/h6-7,9,11-13,15H,2-5,8,10,14H2,1H3,(H,21,23).
What are the key properties of ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate?
ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate has a molecular weight of 343.43 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-oxo-1H-pyridin-2-yl)-pyridin-2-ylamino]heptanoate is sourced from PubChem (CID 58545024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).