4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C18H25N5O2 — CID 130183622

IUPAC4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC=C1OCCN1c1cc2c(N[C@H](C)C(C)(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C18H25N5O2/c1-11(18(3,4)5)21-16-14(17(19)24)9-20-23-10-13(8-15(16)23)22-6-7-25-12(22)2/h8-11,21H,2,6-7H2,1,3-5H3,(H2,19,24)/t11-/m1/s1
InChIKeyLDUHSGFIQOCMQW-LLVKDONJSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds4

About 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 130183622) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID130183622
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC=C1OCCN1c1cc2c(N[C@H](C)C(C)(C)C)c(C(N)=O)cnn2c1
InChIInChI=1S/C18H25N5O2/c1-11(18(3,4)5)21-16-14(17(19)24)9-20-23-10-13(8-15(16)23)22-6-7-25-12(22)2/h8-11,21H,2,6-7H2,1,3-5H3,(H2,19,24)/t11-/m1/s1
InChIKeyLDUHSGFIQOCMQW-LLVKDONJSA-N
XLogP2.59
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 130183622) is 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is C=C1OCCN1c1cc2c(N[C@H](C)C(C)(C)C)c(C(N)=O)cnn2c1.
What is the InChIKey of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LDUHSGFIQOCMQW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(18(3,4)5)21-16-14(17(19)24)9-20-23-10-13(8-15(16)23)22-6-7-25-12(22)2/h8-11,21H,2,6-7H2,1,3-5H3,(H2,19,24)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-6-(2-methylidene-1,3-oxazolidin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 130183622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).