2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid

C12H15N3O3 — CID 113439196

IUPAC2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)c1ccnnc1
InChIInChI=1S/C12H15N3O3/c16-11(9-4-5-14-15-7-9)13-6-8-2-1-3-10(8)12(17)18/h4-5,7-8,10H,1-3,6H2,(H,13,16)(H,17,18)
InChIKeyGNHJKLQZBJDRHE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.71
Rot. Bonds4

About 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid

2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113439196) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113439196
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)c1ccnnc1
InChIInChI=1S/C12H15N3O3/c16-11(9-4-5-14-15-7-9)13-6-8-2-1-3-10(8)12(17)18/h4-5,7-8,10H,1-3,6H2,(H,13,16)(H,17,18)
InChIKeyGNHJKLQZBJDRHE-UHFFFAOYSA-N
XLogP0.71
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 105063230
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79757270
2-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339076
trans-(1S,2R)-2-[[[4-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732270
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid (CID 113439196) is 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)c1ccnnc1.
What is the InChIKey of 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GNHJKLQZBJDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(9-4-5-14-15-7-9)13-6-8-2-1-3-10(8)12(17)18/h4-5,7-8,10H,1-3,6H2,(H,13,16)(H,17,18).
What are the key properties of 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid?
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113439196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).