(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate

C14H12N4O4 — CID 91474839

IUPAC(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CC1
InChIInChI=1S/C14H12N4O4/c15-13(21)14(3-4-14)22-12(20)9-7-10(17-18-11(9)19)8-1-5-16-6-2-8/h1-2,5-7H,3-4H2,(H2,15,21)(H,18,19)
InChIKeyPNPKVEABCBPIIE-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.01
Rot. Bonds4

About (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate

(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate (PubChem CID 91474839) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
PubChem CID91474839
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CC1
InChIInChI=1S/C14H12N4O4/c15-13(21)14(3-4-14)22-12(20)9-7-10(17-18-11(9)19)8-1-5-16-6-2-8/h1-2,5-7H,3-4H2,(H2,15,21)(H,18,19)
InChIKeyPNPKVEABCBPIIE-UHFFFAOYSA-N
XLogP0.01
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The IUPAC name of (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate (CID 91474839) is (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate.
What is the SMILES notation for (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The canonical SMILES for (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate is NC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CC1.
What is the InChIKey of (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The InChIKey is PNPKVEABCBPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-13(21)14(3-4-14)22-12(20)9-7-10(17-18-11(9)19)8-1-5-16-6-2-8/h1-2,5-7H,3-4H2,(H2,15,21)(H,18,19).
What are the key properties of (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 91474839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).