2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid

C12H11N3O4 — CID 112555135

IUPAC2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccnnc2)cc1C(=O)O
InChIInChI=1S/C12H11N3O4/c1-7-10(12(17)18)4-9(19-7)6-13-11(16)8-2-3-14-15-5-8/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyPYFCYWUFHBMEMQ-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.01
Rot. Bonds4

About 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid (PubChem CID 112555135) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
PubChem CID112555135
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccnnc2)cc1C(=O)O
InChIInChI=1S/C12H11N3O4/c1-7-10(12(17)18)4-9(19-7)6-13-11(16)8-2-3-14-15-5-8/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyPYFCYWUFHBMEMQ-UHFFFAOYSA-N
XLogP1.01
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226653
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 122107716
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid (CID 112555135) is 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)c2ccnnc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid?
The InChIKey is PYFCYWUFHBMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-10(12(17)18)4-9(19-7)6-13-11(16)8-2-3-14-15-5-8/h2-5H,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 112555135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).