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

C14H15N5O4 — CID 159374840

IUPACmethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)OC)nc1
InChIInChI=1S/C14H15N5O4/c1-23-14(22)9-3-2-7(6-17-9)18-12(21)4-8-10(20)5-11(15)19-13(8)16/h2-3,6,20H,4-5H2,1H3,(H,18,21)(H3,15,16,19)
InChIKeyRQCQSQFOKNFFMQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.75
Rot. Bonds4

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

methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate (PubChem CID 159374840) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate
PubChem CID159374840
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Namemethyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate
SMILES[H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)OC)nc1
InChIInChI=1S/C14H15N5O4/c1-23-14(22)9-3-2-7(6-17-9)18-12(21)4-8-10(20)5-11(15)19-13(8)16/h2-3,6,20H,4-5H2,1H3,(H,18,21)(H3,15,16,19)
InChIKeyRQCQSQFOKNFFMQ-UHFFFAOYSA-N
XLogP0.75
TPSA150.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.75
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]pyridine-2-carboxylate with MolForge

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Related Compounds

5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-Amino-5-acetamidopyridine-2-carboxylic acid
CID 5278296
Methyl 5-aminopyridine-2-carboxylate
CID 12457877
Ethyl 5-aminopyridine-2-carboxylate
CID 13816714
5-(p-Fluorobenzylamino)-pyridine-2-carboxylic acid methyl ester
CID 12640162
5-Phenylamino-pyridine-2-carboxylic acid
CID 12640220
2-Pyridinecarboxylic acid, 5-[(1-oxopropyl)amino]-
CID 12640221
5-(Benzoylamino)pyridine-2-carboxylic acid
CID 12640225
5-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 28875521
Methyl 3-((tert-butoxycarbonyl)amino)picolinate
CID 49760370
Methyl 5-amino-4-methylpyridine-2-carboxylate
CID 69199253
Methyl 5-amino-3-methylpyridine-2-carboxylate
CID 69580862

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate (CID 159374840) is methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate is [H]/N=C1\N=C(N)CC(O)=C1CC(=O)Nc1ccc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate?
The InChIKey is RQCQSQFOKNFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-23-14(22)9-3-2-7(6-17-9)18-12(21)4-8-10(20)5-11(15)19-13(8)16/h2-3,6,20H,4-5H2,1H3,(H,18,21)(H3,15,16,19).
What are the key properties of methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate?
methyl 5-[[2-(2-amino-4-hydroxy-6-imino-3H-pyridin-5-yl)acetyl]amino]pyridine-2-carboxylate has a molecular weight of 317.31 g/mol, XLogP of 0.75, 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]pyridine-2-carboxylate is sourced from PubChem (CID 159374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).