4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid

C16H19N3O5 — CID 155522514

IUPAC4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cncc(C(=O)O)c2N)o1
InChIInChI=1S/C16H19N3O5/c1-16(2,3)24-15(22)19-6-9-4-5-12(23-9)10-7-18-8-11(13(10)17)14(20)21/h4-5,7-8H,6H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21)
InChIKeyGTQJRJNCKBSLTO-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.65
Rot. Bonds4

About 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid

4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid (PubChem CID 155522514) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid
PubChem CID155522514
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cncc(C(=O)O)c2N)o1
InChIInChI=1S/C16H19N3O5/c1-16(2,3)24-15(22)19-6-9-4-5-12(23-9)10-7-18-8-11(13(10)17)14(20)21/h4-5,7-8H,6H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21)
InChIKeyGTQJRJNCKBSLTO-UHFFFAOYSA-N
XLogP2.65
TPSA127.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate
CID 151326575
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
CID 145262667
(2,2,2-trifluoroacetyl) 4-amino-5-[5-[[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]methyl]furan-2-yl]pyridine-3-carboxylate
CID 142411633
5-(3-bromo-4-pyridinyl)pyrimidine;tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate;[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]boronic acid
CID 161439429
methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate
CID 142411634
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[4-[(1,3-oxazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244234

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid (CID 155522514) is 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NCc1ccc(-c2cncc(C(=O)O)c2N)o1.
What is the InChIKey of 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is GTQJRJNCKBSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(2,3)24-15(22)19-6-9-4-5-12(23-9)10-7-18-8-11(13(10)17)14(20)21/h4-5,7-8H,6H2,1-3H3,(H2,17,18)(H,19,22)(H,20,21).
What are the key properties of 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid?
4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 155522514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).