methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate

C14H14FN5O4 — CID 160780813

IUPACmethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1cnc(C(=O)OC)c(F)c1
InChIInChI=1S/C14H14FN5O4/c1-24-14(23)12-8(15)2-6(5-18-12)19-11(22)3-7-9(21)4-10(16)20-13(7)17/h2,5,21H,3-4H2,1H3,(H,19,22)(H3,16,17,20)
InChIKeyGZAPNOVQNGAJBF-UHFFFAOYSA-N
MW335.30 g/mol
LogP0.89
Rot. Bonds4

About methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate

methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate (PubChem CID 160780813) has the molecular formula C14H14FN5O4 and a molecular weight of 335.30 g/mol. Its IUPAC name is methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate
PubChem CID160780813
Molecular FormulaC14H14FN5O4
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC Namemethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1cnc(C(=O)OC)c(F)c1
InChIInChI=1S/C14H14FN5O4/c1-24-14(23)12-8(15)2-6(5-18-12)19-11(22)3-7-9(21)4-10(16)20-13(7)17/h2,5,21H,3-4H2,1H3,(H,19,22)(H3,16,17,20)
InChIKeyGZAPNOVQNGAJBF-UHFFFAOYSA-N
XLogP0.89
TPSA150.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate with MolForge

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Related Compounds

5-Acetamidopyridine-2-carboxylic acid
CID 5278292
5-(p-Fluorobenzylamino)-pyridine-2-carboxylic acid methyl ester
CID 12640162
2-Pyridinecarboxylic acid, 5-[(1-oxopropyl)amino]-
CID 12640221
5-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 28875521
Methyl 5-(butylamino)pyridine-2-carboxylate
CID 12640213
Methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate
CID 12640224
Methyl 5-(tert-Butoxycarbonylamino)picolinate
CID 14842342
Methyl 5-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]pyridine-2-carboxylate
CID 126811750
5-(m-Fluorobenzylamino)-pyridine-2-carboxylic acid methyl ester
CID 53773077
5-(2,2,2-Trifluoroethylamino)-pyridine-2-carboxylic acid methyl ester
CID 66802732
Methyl 5-amino-3-fluoropyridine-2-carboxylate
CID 89396497
Methyl 5-((tert-butoxycarbonyl)amino)-3-fluoropicolinate
CID 118878176

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate (CID 160780813) is methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate is [H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1cnc(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate?
The InChIKey is GZAPNOVQNGAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O4/c1-24-14(23)12-8(15)2-6(5-18-12)19-11(22)3-7-9(21)4-10(16)20-13(7)17/h2,5,21H,3-4H2,1H3,(H,19,22)(H3,16,17,20).
What are the key properties of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate?
methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate has a molecular weight of 335.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 160780813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).