5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid

C15H12N4O2 — CID 81088915

IUPAC5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cnc3ccccc3n2)cn1
InChIInChI=1S/C15H12N4O2/c20-15(21)13-6-5-10(7-16-13)8-18-14-9-17-11-3-1-2-4-12(11)19-14/h1-7,9H,8H2,(H,18,19)(H,20,21)
InChIKeyZNZFPVFQRDPZHE-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds4

About 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid

5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81088915) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81088915
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNc2cnc3ccccc3n2)cn1
InChIInChI=1S/C15H12N4O2/c20-15(21)13-6-5-10(7-16-13)8-18-14-9-17-11-3-1-2-4-12(11)19-14/h1-7,9H,8H2,(H,18,19)(H,20,21)
InChIKeyZNZFPVFQRDPZHE-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 105362161
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81089954
5-[(4-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81100171
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
CID 81161057

Frequently Asked Questions

What is the IUPAC name of 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid (CID 81088915) is 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNc2cnc3ccccc3n2)cn1.
What is the InChIKey of 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is ZNZFPVFQRDPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)13-6-5-10(7-16-13)8-18-14-9-17-11-3-1-2-4-12(11)19-14/h1-7,9H,8H2,(H,18,19)(H,20,21).
What are the key properties of 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid?
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81088915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).