N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide

C16H17BrN4O2 — CID 113050128

IUPACN-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c(Br)c1
InChIInChI=1S/C16H17BrN4O2/c1-10-4-5-12(11(17)9-10)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyBGGIMMIMDDRSQE-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.41
Rot. Bonds4

About N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide

N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113050128) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113050128
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC NameN-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c(Br)c1
InChIInChI=1S/C16H17BrN4O2/c1-10-4-5-12(11(17)9-10)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyBGGIMMIMDDRSQE-UHFFFAOYSA-N
XLogP3.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113047900
N-[6-(diethylamino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113043959
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide (CID 113050128) is N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)c(Br)c1.
What is the InChIKey of N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is BGGIMMIMDDRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-10-4-5-12(11(17)9-10)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-23-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113050128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).