5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid

C17H18N4O5 — CID 126657355

IUPAC5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid
SMILESCNc1cncc(C(=O)OCCN(C(C)=O)c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C17H18N4O5/c1-11(22)21(15-6-12(16(23)24)7-20-10-15)3-4-26-17(25)13-5-14(18-2)9-19-8-13/h5-10,18H,3-4H2,1-2H3,(H,23,24)
InChIKeyNSJDMAHELQJUMP-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.43
Rot. Bonds7

About 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid

5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid (PubChem CID 126657355) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid
PubChem CID126657355
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid
SMILESCNc1cncc(C(=O)OCCN(C(C)=O)c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C17H18N4O5/c1-11(22)21(15-6-12(16(23)24)7-20-10-15)3-4-26-17(25)13-5-14(18-2)9-19-8-13/h5-10,18H,3-4H2,1-2H3,(H,23,24)
InChIKeyNSJDMAHELQJUMP-UHFFFAOYSA-N
XLogP1.43
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid (CID 126657355) is 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid is CNc1cncc(C(=O)OCCN(C(C)=O)c2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NSJDMAHELQJUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11(22)21(15-6-12(16(23)24)7-20-10-15)3-4-26-17(25)13-5-14(18-2)9-19-8-13/h5-10,18H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid?
5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl-[2-[5-(methylamino)pyridine-3-carbonyl]oxyethyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 126657355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).