ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate

C16H17N3O4 — CID 175581618

IUPACethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)c(-c2ccc(O)cn2)cn1
InChIInChI=1S/C16H17N3O4/c1-3-23-15(21)9-19-16(22)14-6-10(2)12(8-18-14)13-5-4-11(20)7-17-13/h4-8,20H,3,9H2,1-2H3,(H,19,22)
InChIKeyWAJOYWAOTGKBNX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate

ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate (PubChem CID 175581618) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate
PubChem CID175581618
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Nameethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)c(-c2ccc(O)cn2)cn1
InChIInChI=1S/C16H17N3O4/c1-3-23-15(21)9-19-16(22)14-6-10(2)12(8-18-14)13-5-4-11(20)7-17-13/h4-8,20H,3,9H2,1-2H3,(H,19,22)
InChIKeyWAJOYWAOTGKBNX-UHFFFAOYSA-N
XLogP1.45
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate with MolForge

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Related Compounds

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CID 5388936
3-Hydroxy-N-((2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl)-2-pyridinecarboxamide
CID 3037036
N-(3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
CID 122731
US8598210, Table XV, 4
CID 24891734
Etamycin
CID 91865074
3-Hydroxy-N-(24-Hydroxy-7,11,13,17,20-Pentamethyl-16-(3-Methylbutan-2-Yl)-3-(2-Methylpropyl)-2,5,9,12,15,18,21-Heptaoxo-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo(20.3.0)Pentacosan-6-Yl)Pyridine-2-Carboxamide
CID 417256
Linopristin
CID 9919429
Fijimycin A
CID 57400803
US8598210, Table XV, 1
CID 24891582
3-Hydroxy-N-[(2r,5r,6s,9s,10s,11r)-10-Hydroxy-5,11-Dimethyl-3,7,12-Trioxo-2-(Propan-2-Yl)-9-(Pyridin-3-Ylmethyl)-1,4-Dioxa-8-Azacyclododecan-6-Yl]pyridine-2-Carboxamide
CID 71624761
Fijimycin C
CID 57402560
US8598210, Table XV, 2
CID 24891583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate (CID 175581618) is ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cc(C)c(-c2ccc(O)cn2)cn1.
What is the InChIKey of ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate?
The InChIKey is WAJOYWAOTGKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-15(21)9-19-16(22)14-6-10(2)12(8-18-14)13-5-4-11(20)7-17-13/h4-8,20H,3,9H2,1-2H3,(H,19,22).
What are the key properties of ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate?
ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate has a molecular weight of 315.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(5-hydroxy-2-pyridinyl)-4-methylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 175581618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).