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3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide

C13H19BrN4O2 — CID 114441623

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C13H19BrN4O2/c1-2-15-11(19)5-6-16-10-7-17-18(8-9-3-4-9)13(20)12(10)14/h7,9,16H,2-6,8H2,1H3,(H,15,19)
InChIKeyHQJVWOGICLPMNP-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.35
Rot. Bonds7

About 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide

3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide (PubChem CID 114441623) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
PubChem CID114441623
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C13H19BrN4O2/c1-2-15-11(19)5-6-16-10-7-17-18(8-9-3-4-9)13(20)12(10)14/h7,9,16H,2-6,8H2,1H3,(H,15,19)
InChIKeyHQJVWOGICLPMNP-UHFFFAOYSA-N
XLogP1.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide?
The IUPAC name of 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide (CID 114441623) is 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide?
The canonical SMILES for 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide is CCNC(=O)CCNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide?
The InChIKey is HQJVWOGICLPMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-2-15-11(19)5-6-16-10-7-17-18(8-9-3-4-9)13(20)12(10)14/h7,9,16H,2-6,8H2,1H3,(H,15,19).
What are the key properties of 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide?
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide has a molecular weight of 343.23 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide is sourced from PubChem (CID 114441623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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