2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C17H16N4O3 — CID 70743386

IUPAC2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(CCNc2nccc(-c3cc(C(=O)O)ccn3)n2)o1
InChIInChI=1S/C17H16N4O3/c1-11-2-3-13(24-11)5-8-19-17-20-9-6-14(21-17)15-10-12(16(22)23)4-7-18-15/h2-4,6-7,9-10H,5,8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyIXXJVYXPFYOFLC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.79
Rot. Bonds6

About 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70743386) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70743386
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(CCNc2nccc(-c3cc(C(=O)O)ccn3)n2)o1
InChIInChI=1S/C17H16N4O3/c1-11-2-3-13(24-11)5-8-19-17-20-9-6-14(21-17)15-10-12(16(22)23)4-7-18-15/h2-4,6-7,9-10H,5,8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyIXXJVYXPFYOFLC-UHFFFAOYSA-N
XLogP2.79
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70741018
2-[2-[2-(dimethylsulfamoyl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70742287
2-[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70780330
2-[2-[2-(pyridin-3-ylamino)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70770241
2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70716417
2-[2-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70748491
2-[2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95866917
2-[2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70739740
2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113829
2-[2-[[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95868518
2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56874192
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70743386) is 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is Cc1ccc(CCNc2nccc(-c3cc(C(=O)O)ccn3)n2)o1.
What is the InChIKey of 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is IXXJVYXPFYOFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-2-3-13(24-11)5-8-19-17-20-9-6-14(21-17)15-10-12(16(22)23)4-7-18-15/h2-4,6-7,9-10H,5,8H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70743386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).