sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate

C14H13N4NaO3 — CID 166228956

IUPACsodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(C(=O)Nc2ccc(-n3cccn3)nc2)C1.[Na+]
InChIInChI=1S/C14H14N4O3.Na/c19-13(9-6-10(7-9)14(20)21)17-11-2-3-12(15-8-11)18-5-1-4-16-18;/h1-5,8-10H,6-7H2,(H,17,19)(H,20,21);/q;+1/p-1
InChIKeyDDJQZDJURWMGGN-UHFFFAOYSA-M
MW308.27 g/mol
LogP-3.01
Rot. Bonds4

About sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate

sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate (PubChem CID 166228956) has the molecular formula C14H13N4NaO3 and a molecular weight of 308.27 g/mol. Its IUPAC name is sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namesodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate
PubChem CID166228956
Molecular FormulaC14H13N4NaO3
Molecular Weight308.27 g/mol
Exact Mass308.09
IUPAC Namesodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(C(=O)Nc2ccc(-n3cccn3)nc2)C1.[Na+]
InChIInChI=1S/C14H14N4O3.Na/c19-13(9-6-10(7-9)14(20)21)17-11-2-3-12(15-8-11)18-5-1-4-16-18;/h1-5,8-10H,6-7H2,(H,17,19)(H,20,21);/q;+1/p-1
InChIKeyDDJQZDJURWMGGN-UHFFFAOYSA-M
XLogP-3.01
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60849056
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842780
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 49159097
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 46554253

Frequently Asked Questions

What is the IUPAC name of sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate (CID 166228956) is sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate is O=C([O-])C1CC(C(=O)Nc2ccc(-n3cccn3)nc2)C1.[Na+].
What is the InChIKey of sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate?
The InChIKey is DDJQZDJURWMGGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N4O3.Na/c19-13(9-6-10(7-9)14(20)21)17-11-2-3-12(15-8-11)18-5-1-4-16-18;/h1-5,8-10H,6-7H2,(H,17,19)(H,20,21);/q;+1/p-1.
What are the key properties of sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate?
sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate has a molecular weight of 308.27 g/mol, XLogP of -3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 166228956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).