4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid

C13H14N2O3 — CID 61477977

IUPAC4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C13H14N2O3/c1-8-3-4-12(18-8)9(2)15-10-5-6-14-11(7-10)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXYWKKTVUMPZUAC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.85
Rot. Bonds4

About 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid

4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 61477977) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID61477977
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C13H14N2O3/c1-8-3-4-12(18-8)9(2)15-10-5-6-14-11(7-10)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXYWKKTVUMPZUAC-UHFFFAOYSA-N
XLogP2.85
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
CID 62523902
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid
CID 66451234
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286357
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 61477977) is 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid is Cc1ccc(C(C)Nc2ccnc(C(=O)O)c2)o1.
What is the InChIKey of 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is XYWKKTVUMPZUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-3-4-12(18-8)9(2)15-10-5-6-14-11(7-10)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid?
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61477977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).