2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid

C17H20N2O5 — CID 120523942

IUPAC2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2cc(CC(C)C)[nH]c(=O)c2)cc1C(=O)O
InChIInChI=1S/C17H20N2O5/c1-9(2)4-12-5-11(6-15(20)19-12)16(21)18-8-13-7-14(17(22)23)10(3)24-13/h5-7,9H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyHPRJDGHNUCRDQY-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.10
Rot. Bonds6

About 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 120523942) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID120523942
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2cc(CC(C)C)[nH]c(=O)c2)cc1C(=O)O
InChIInChI=1S/C17H20N2O5/c1-9(2)4-12-5-11(6-15(20)19-12)16(21)18-8-13-7-14(17(22)23)10(3)24-13/h5-7,9H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyHPRJDGHNUCRDQY-UHFFFAOYSA-N
XLogP2.10
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 120523942) is 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)c2cc(CC(C)C)[nH]c(=O)c2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is HPRJDGHNUCRDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-9(2)4-12-5-11(6-15(20)19-12)16(21)18-8-13-7-14(17(22)23)10(3)24-13/h5-7,9H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120523942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).